 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer05_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-98483.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     98484.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643366958 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1131.7404999295 Hartrees.
 Leave Link  301 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.17D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   492   492   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:42:55 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 900000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.154201878670    
 DIIS: error= 3.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.154201878670     IErMin= 1 ErrMin= 3.29D-03
 ErrMax= 3.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-02 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.162 Goal=   None    Shift=    0.000
 GapD=    0.162 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.58D-02 MaxDP=1.04D+00              OVMax= 1.54D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.32D-02    CP:  1.26D+00
 E= -767.165628974723     Delta-E=       -0.011427096054 Rises=F Damp=F
 DIIS: error= 7.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.165628974723     IErMin= 2 ErrMin= 7.15D-04
 ErrMax= 7.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-04 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.15D-03
 Coeff-Com:  0.592D-01 0.941D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.588D-01 0.941D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 RMSDP=8.13D-04 MaxDP=6.57D-02 DE=-1.14D-02 OVMax= 8.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.01D-04    CP:  1.28D+00  1.04D+00
 E= -767.165203314465     Delta-E=        0.000425660259 Rises=F Damp=F
 DIIS: error= 1.15D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.165628974723     IErMin= 2 ErrMin= 7.15D-04
 ErrMax= 1.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-03 BMatP= 6.50D-04
 IDIUse=3 WtCom= 2.28D-01 WtEn= 7.72D-01
 Coeff-Com: -0.150D-01 0.591D+00 0.424D+00
 Coeff-En:   0.000D+00 0.629D+00 0.371D+00
 Coeff:     -0.343D-02 0.620D+00 0.383D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=5.52D-03 DE= 4.26D-04 OVMax= 5.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  1.28D+00  1.04D+00  7.55D-01
 E= -767.166130398568     Delta-E=       -0.000927084104 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.166130398568     IErMin= 4 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-05 BMatP= 6.50D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.104D-01 0.295D+00 0.196D+00 0.519D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.104D-01 0.295D+00 0.195D+00 0.520D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=6.41D-05 MaxDP=3.78D-03 DE=-9.27D-04 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.32D-05    CP:  1.27D+00  1.04D+00  6.94D-01  8.03D-01
 E= -767.166148296118     Delta-E=       -0.000017897550 Rises=F Damp=F
 DIIS: error= 3.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.166148296118     IErMin= 5 ErrMin= 3.84D-05
 ErrMax= 3.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-06 BMatP= 1.96D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.439D-02 0.104D+00 0.683D-01 0.280D+00 0.552D+00
 Coeff:     -0.439D-02 0.104D+00 0.683D-01 0.280D+00 0.552D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=1.79D-05 MaxDP=1.11D-03 DE=-1.79D-05 OVMax= 5.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.28D+00  1.04D+00  6.98D-01  8.20D-01  7.90D-01
 E= -767.166149791176     Delta-E=       -0.000001495058 Rises=F Damp=F
 DIIS: error= 1.86D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.166149791176     IErMin= 6 ErrMin= 1.86D-05
 ErrMax= 1.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.82D-07 BMatP= 2.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.816D-03 0.950D-02 0.657D-02 0.781D-01 0.374D+00 0.532D+00
 Coeff:     -0.816D-03 0.950D-02 0.657D-02 0.781D-01 0.374D+00 0.532D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=6.95D-06 MaxDP=2.93D-04 DE=-1.50D-06 OVMax= 2.36D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.60D-06    CP:  1.28D+00  1.04D+00  7.03D-01  8.16D-01  8.05D-01
                    CP:  6.94D-01
 E= -767.166150372502     Delta-E=       -0.000000581325 Rises=F Damp=F
 DIIS: error= 3.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.166150372502     IErMin= 7 ErrMin= 3.36D-06
 ErrMax= 3.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-08 BMatP= 6.82D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-03-0.109D-02-0.616D-03 0.224D-01 0.153D+00 0.264D+00
 Coeff-Com:  0.562D+00
 Coeff:     -0.148D-03-0.109D-02-0.616D-03 0.224D-01 0.153D+00 0.264D+00
 Coeff:      0.562D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=1.61D-06 MaxDP=7.99D-05 DE=-5.81D-07 OVMax= 4.81D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.28D+00  1.04D+00  7.04D-01  8.16D-01  8.17D-01
                    CP:  6.88D-01  7.84D-01
 E= -767.166150388662     Delta-E=       -0.000000016160 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.166150388662     IErMin= 8 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-09 BMatP= 2.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.774D-05-0.172D-02-0.115D-02 0.345D-02 0.433D-01 0.901D-01
 Coeff-Com:  0.354D+00 0.512D+00
 Coeff:      0.774D-05-0.172D-02-0.115D-02 0.345D-02 0.433D-01 0.901D-01
 Coeff:      0.354D+00 0.512D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=7.53D-07 MaxDP=3.40D-05 DE=-1.62D-08 OVMax= 2.45D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.38D-07    CP:  1.28D+00  1.04D+00  7.04D-01  8.19D-01  8.15D-01
                    CP:  6.97D-01  7.60D-01  7.32D-01
 E= -767.166150393026     Delta-E=       -0.000000004364 Rises=F Damp=F
 DIIS: error= 4.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.166150393026     IErMin= 9 ErrMin= 4.51D-07
 ErrMax= 4.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-10 BMatP= 5.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D-04-0.851D-03-0.575D-03 0.515D-04 0.118D-01 0.276D-01
 Coeff-Com:  0.149D+00 0.270D+00 0.543D+00
 Coeff:      0.159D-04-0.851D-03-0.575D-03 0.515D-04 0.118D-01 0.276D-01
 Coeff:      0.149D+00 0.270D+00 0.543D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=2.54D-07 MaxDP=1.03D-05 DE=-4.36D-09 OVMax= 7.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.50D-07    CP:  1.28D+00  1.04D+00  7.04D-01  8.18D-01  8.16D-01
                    CP:  6.94D-01  7.77D-01  7.30D-01  7.34D-01
 E= -767.166150393209     Delta-E=       -0.000000000182 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.166150393209     IErMin=10 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-11 BMatP= 2.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.822D-05-0.247D-03-0.165D-03-0.561D-03 0.469D-03 0.257D-02
 Coeff-Com:  0.373D-01 0.835D-01 0.310D+00 0.567D+00
 Coeff:      0.822D-05-0.247D-03-0.165D-03-0.561D-03 0.469D-03 0.257D-02
 Coeff:      0.373D-01 0.835D-01 0.310D+00 0.567D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=7.13D-08 MaxDP=2.51D-06 DE=-1.82D-10 OVMax= 2.19D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.95D-08    CP:  1.28D+00  1.04D+00  7.04D-01  8.18D-01  8.15D-01
                    CP:  6.95D-01  7.78D-01  7.17D-01  7.57D-01  7.26D-01
 E= -767.166150393341     Delta-E=       -0.000000000132 Rises=F Damp=F
 DIIS: error= 3.09D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.166150393341     IErMin=11 ErrMin= 3.09D-08
 ErrMax= 3.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-12 BMatP= 3.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-05-0.501D-04-0.321D-04-0.278D-03-0.660D-03-0.941D-03
 Coeff-Com:  0.677D-02 0.194D-01 0.108D+00 0.270D+00 0.597D+00
 Coeff:      0.255D-05-0.501D-04-0.321D-04-0.278D-03-0.660D-03-0.941D-03
 Coeff:      0.677D-02 0.194D-01 0.108D+00 0.270D+00 0.597D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=1.94D-08 MaxDP=8.16D-07 DE=-1.32D-10 OVMax= 4.78D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.28D+00  1.04D+00  7.04D-01  8.18D-01  8.16D-01
                    CP:  6.95D-01  7.78D-01  7.23D-01  7.60D-01  7.40D-01
                    CP:  8.32D-01
 E= -767.166150393323     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 1.59D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.166150393341     IErMin=12 ErrMin= 1.59D-08
 ErrMax= 1.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-13 BMatP= 2.05D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.503D-06 0.463D-06 0.122D-05-0.902D-04-0.403D-03-0.821D-03
 Coeff-Com: -0.652D-03 0.332D-03 0.220D-01 0.766D-01 0.336D+00 0.567D+00
 Coeff:      0.503D-06 0.463D-06 0.122D-05-0.902D-04-0.403D-03-0.821D-03
 Coeff:     -0.652D-03 0.332D-03 0.220D-01 0.766D-01 0.336D+00 0.567D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=6.87D-09 MaxDP=2.57D-07 DE= 1.77D-11 OVMax= 2.11D-07

 SCF Done:  E(RB3LYP) =  -767.166150393     A.U. after   12 cycles
            NFock= 12  Conv=0.69D-08     -V/T= 2.0107
 KE= 7.590790823270D+02 PE=-4.046155454935D+03 EE= 1.388169722285D+03
 Leave Link  502 at Thu Aug 12 20:46:57 2021, MaxMem=  5368709120 cpu:            1927.1 elap:             241.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.61669975D+02

 Leave Link  801 at Thu Aug 12 20:46:57 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9498 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.62D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.52D-01 1.47D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 1.18D-01 1.37D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 2.89D-02 4.60D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.21D-02 3.39D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.31D-03 6.64D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.26D-04 2.27D-03.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 2.93D-06 3.37D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 7.88D-08 4.22D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 2.10D-09 4.48D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.85D-11 7.73D-07.
      6 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 6.84D-13 9.42D-08.
      1 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 5.35D-14 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.99D-13
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.322702D+03
      2  0.156550D+02  0.169419D+03
      3  0.121250D+02 -0.392251D+01  0.119884D+03
 Isotropic polarizability for W=    0.088559      204.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.366876D+03 -0.124937D+02 -0.485511D+02
      2   0.147812D+03  0.172806D+02 -0.412032D+01
      3   0.219064D+03 -0.478689D+01  0.526714D+02
      4  -0.214663D+02 -0.146288D+03  0.231739D+02
      5   0.282878D+02  0.218218D+02  0.716359D+02
      6   0.618010D+01  0.450316D+02 -0.253926D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.952400D+01  0.272912D+02  0.735497D+01
      2  -0.510314D+02  0.100908D+02  0.305718D+02
      3   0.976064D+01  0.585424D+02 -0.727191D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.135214D+01  0.491519D+02  0.206057D+02
      2  -0.768389D+02  0.169938D+02 -0.147428D+03
      3  -0.897251D+01  0.294100D+03 -0.156417D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.107141D+01  0.247418D+01 -0.282475D+01
      2   0.247418D+01 -0.414951D+01 -0.394453D+01
      3  -0.282475D+01 -0.394453D+01 -0.362702D+01
 OR G Eigenvalues:    -7.8436    -3.2171     4.3555  Iso=     2.2350
 Eigenvectors:
   (1)   0.017362   0.724333   0.689232
   (2)   0.658179  -0.527194   0.537463
   (3)   0.752661   0.444307  -0.485894
 w=    0.088559 a.u., Optical Rotation Beta=      2.2350 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      492.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 6.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 1.14D-01 1.43D-01.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 3.99D-03 1.75D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.44D-04 1.60D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 3.35D-06 2.62D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 3.14D-08 2.31D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.45D-10 1.99D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 1.69D-12 1.17D-07.
      7 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 6.52D-15 7.92D-09.
      3 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 5.41D-15 4.54D-09.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 4.88D-14 1.44D-08.
      3 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 1.77D-14 9.32D-09.
      3 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 3.64D-14 1.50D-08.
      3 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 1.79D-14 1.05D-08.
      3 vectors produced by pass 14 Test12= 6.78D-14 2.78D-09 XBig12= 2.74D-14 1.19D-08.
      3 vectors produced by pass 15 Test12= 6.78D-14 2.78D-09 XBig12= 1.71D-14 7.43D-09.
      3 vectors produced by pass 16 Test12= 6.78D-14 2.78D-09 XBig12= 1.56D-14 8.20D-09.
      3 vectors produced by pass 17 Test12= 6.78D-14 2.78D-09 XBig12= 1.18D-14 9.91D-09.
      3 vectors produced by pass 18 Test12= 6.78D-14 2.78D-09 XBig12= 4.94D-15 4.88D-09.
      3 vectors produced by pass 19 Test12= 6.78D-14 2.78D-09 XBig12= 1.79D-14 7.95D-09.
      3 vectors produced by pass 20 Test12= 6.78D-14 2.78D-09 XBig12= 9.34D-15 5.23D-09.
      3 vectors produced by pass 21 Test12= 6.78D-14 2.78D-09 XBig12= 8.28D-15 5.56D-09.
      2 vectors produced by pass 22 Test12= 6.78D-14 2.78D-09 XBig12= 1.18D-14 8.72D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   288 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.87D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.87D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.322702D+03  0.156550D+02  0.121250D+02
      2   0.156550D+02  0.169419D+03 -0.392251D+01
      3   0.121250D+02 -0.392251D+01  0.119884D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.952400D+01  0.272912D+02  0.735497D+01
      2  -0.510314D+02  0.100908D+02  0.305718D+02
      3   0.976064D+01  0.585424D+02 -0.727191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.366876D+03 -0.124937D+02 -0.485511D+02
      2   0.147812D+03  0.172806D+02 -0.412032D+01
      3   0.219064D+03 -0.478689D+01  0.526714D+02
      4  -0.214663D+02 -0.146288D+03  0.231739D+02
      5   0.282878D+02  0.218218D+02  0.716359D+02
      6   0.618010D+01  0.450316D+02 -0.253926D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434617D+02  0.862708D+01  0.141279D+01 -0.480892D+02 -0.411622D+01
      2   0.862708D+01  0.355720D+01  0.282960D+00 -0.411622D+01 -0.536829D+01
      3   0.141279D+01  0.282960D+00 -0.396763D+00 -0.264241D+01  0.176118D+00
                 6             7             8             9            10 
      1  -0.264241D+01  0.799618D+01  0.121483D+01  0.181239D+01 -0.339747D+02
      2   0.176118D+00  0.121483D+01  0.649400D+00 -0.954623D+00 -0.757080D+01
      3  -0.925802D-01  0.181239D+01 -0.954623D+00  0.379379D+00 -0.922729D+00
                11            12            13            14            15 
      1  -0.757080D+01 -0.922729D+00  0.517699D+02  0.503452D+01  0.302189D+01
      2  -0.608313D+00 -0.363840D+00  0.503452D+01  0.632514D+01 -0.116320D+00
      3  -0.363840D+00 -0.236461D+00  0.302189D+01 -0.116320D+00 -0.314223D-01
                16            17            18            19            20 
      1  -0.834869D+01 -0.122882D+01 -0.901103D+00 -0.591470D+02 -0.107190D+02
      2  -0.122882D+01 -0.567286D+00  0.859940D+00 -0.107190D+02 -0.973263D+01
      3  -0.901103D+00  0.859940D+00 -0.129668D+00 -0.121303D+01  0.340840D+00
                21            22            23            24            25 
      1  -0.121303D+01 -0.193879D+02 -0.226544D+01  0.347189D+00 -0.283166D+01
      2   0.340840D+00 -0.226544D+01 -0.468235D+01 -0.625231D+00  0.310575D+00
      3  -0.850119D+00  0.347189D+00 -0.625231D+00 -0.225991D+01  0.104375D+01
                26            27            28            29            30 
      1   0.310575D+00  0.104375D+01  0.607551D+02  0.458516D+01  0.103942D+01
      2  -0.127374D+01 -0.386138D+01  0.458516D+01  0.639438D+01  0.159162D-01
      3  -0.386138D+01  0.122431D+01  0.103942D+01  0.159162D-01  0.252732D+01
                31            32            33            34            35 
      1   0.130937D+01  0.458377D+01  0.418661D+00  0.932369D+00  0.789008D+00
      2   0.458377D+01  0.146772D+02 -0.634659D+00  0.789008D+00 -0.251600D+00
      3   0.418661D+00 -0.634659D+00  0.510623D+00  0.702009D+01  0.662050D+00
                36            37            38            39            40 
      1   0.702009D+01  0.681878D+01 -0.109952D+01  0.347293D+00  0.130896D+02
      2   0.662050D+00 -0.109952D+01  0.128089D+02 -0.105660D+01  0.286045D+00
      3   0.742347D+00  0.347293D+00 -0.105660D+01  0.178669D+01  0.620211D+00
                41            42            43            44            45 
      1   0.286045D+00  0.620211D+00 -0.278103D+00  0.251296D+00  0.459290D+01
      2  -0.902498D+01  0.114825D+01  0.251296D+00  0.258854D+01  0.172510D+01
      3   0.114825D+01  0.112201D+01  0.459290D+01  0.172510D+01  0.666470D+00
                46            47            48            49            50 
      1  -0.887036D+01  0.294121D+01 -0.133067D+01  0.308510D+01  0.342974D+01
      2   0.294121D+01 -0.912983D+01  0.320562D+00  0.342974D+01  0.730718D+00
      3  -0.133067D+01  0.320562D+00 -0.104916D+01 -0.264356D+00  0.895431D+00
                51            52            53            54            55 
      1  -0.264356D+00 -0.104466D+01 -0.752628D+00 -0.771211D+00 -0.148934D+00
      2   0.895431D+00 -0.752628D+00  0.808519D-01  0.451560D+01 -0.353102D+01
      3   0.133757D+01 -0.771211D+00  0.451560D+01 -0.121151D+01  0.496512D+00
                56            57            58            59            60 
      1  -0.353102D+01  0.496512D+00 -0.464095D+01 -0.442153D+01  0.333766D+00
      2   0.619698D+01 -0.519856D+00 -0.442153D+01 -0.208543D+01 -0.696425D+00
      3  -0.519856D+00  0.152646D+01  0.333766D+00 -0.696425D+00 -0.130342D+01
                61            62            63            64            65 
      1   0.727966D+00  0.502781D+00 -0.422114D+00  0.408413D+00 -0.200603D+01
      2   0.502781D+00 -0.132783D+00 -0.427957D+01 -0.200603D+01  0.107140D+01
      3  -0.422114D+00 -0.427957D+01  0.127553D+01  0.302360D+00 -0.276993D+00
                66            67            68            69            70 
      1   0.302360D+00 -0.205494D+01  0.271546D+01 -0.501439D+00  0.517863D+00
      2  -0.276993D+00  0.271546D+01 -0.782033D+01  0.113557D+01 -0.531292D+00
      3   0.140476D+00 -0.501439D+00  0.113557D+01 -0.913673D+00 -0.456406D-01
                71            72            73            74            75 
      1  -0.531292D+00 -0.456406D-01  0.713597D+01  0.326672D+01  0.302588D+00
      2   0.100129D+01 -0.270434D+00  0.326672D+01  0.280857D+01 -0.198823D-01
      3  -0.270434D+00  0.218951D+00  0.302588D+00 -0.198823D-01  0.563801D+00
                76            77            78            79            80 
      1   0.450672D+01  0.420815D+01 -0.108289D+00  0.201312D+00 -0.388512D+00
      2   0.420815D+01  0.425333D+01 -0.763343D-03 -0.388512D+00 -0.283525D+00
      3  -0.108289D+00 -0.763343D-03  0.589555D+00 -0.331770D+00  0.290461D+00
                81            82            83            84            85 
      1  -0.331770D+00 -0.505484D+00  0.140962D+01 -0.197570D+00  0.574973D+00
      2   0.290461D+00  0.140962D+01 -0.157436D+01  0.250815D+00 -0.601734D+00
      3  -0.184584D+00 -0.197570D+00  0.250815D+00 -0.127837D+00  0.365696D-01
                86            87            88            89            90 
      1  -0.601734D+00  0.365696D-01 -0.218915D+00  0.227388D+00  0.797862D-01
      2   0.110650D+02 -0.105915D+01  0.227388D+00 -0.128761D+01  0.308815D+00
      3  -0.105915D+01  0.982208D+00  0.797862D-01  0.308815D+00 -0.153305D+00
                91            92            93            94            95 
      1  -0.231963D+02 -0.182818D+01  0.478876D-01 -0.336254D+00 -0.185283D+00
      2  -0.182818D+01  0.262365D+00 -0.569014D+00 -0.185283D+00  0.502387D+01
      3   0.478876D-01 -0.569014D+00 -0.348392D+01 -0.234443D+01 -0.854552D+00
                96            97            98            99           100 
      1  -0.234443D+01  0.170728D+01 -0.140276D+01 -0.831557D+01 -0.647234D+01
      2  -0.854552D+00 -0.140276D+01 -0.473729D+00 -0.835546D+00  0.271986D+01
      3  -0.766130D+00 -0.831557D+01 -0.835546D+00  0.337008D+00 -0.192769D+01
               101           102           103           104           105 
      1   0.271986D+01 -0.192769D+01  0.856283D+01 -0.170803D+00  0.190366D+01
      2  -0.519183D+00  0.264001D+00 -0.170803D+00 -0.472042D+01 -0.109104D+00
      3   0.264001D+00  0.367597D+01  0.190366D+01 -0.109104D+00  0.267803D+01
               106           107           108           109           110 
      1   0.471315D+01  0.108176D+01  0.573217D+01 -0.857671D+01 -0.179624D+01
      2   0.108176D+01  0.533478D+00  0.192639D+01 -0.179624D+01 -0.542459D+00
      3   0.573217D+01  0.192639D+01 -0.627342D+00  0.902545D+00  0.559724D+00
               111           112           113           114           115 
      1   0.902545D+00 -0.315469D+01 -0.265226D+00  0.161451D+01 -0.113262D+02
      2   0.559724D+00 -0.265226D+00 -0.991014D+00 -0.784950D-01  0.446680D+00
      3   0.104837D+01  0.161451D+01 -0.784950D-01  0.428649D+00  0.527938D+01
               116           117           118           119           120 
      1   0.446680D+00  0.527938D+01 -0.155073D+01 -0.103921D+01  0.117985D+00
      2  -0.789501D+00  0.366157D+00 -0.103921D+01  0.430287D+00 -0.323573D-01
      3   0.366157D+00 -0.670554D+00  0.117985D+00 -0.323573D-01  0.736046D+00
               121           122           123           124           125 
      1  -0.290884D+01  0.180514D+01 -0.936418D-01 -0.443729D+00 -0.102388D+00
      2   0.180514D+01 -0.666986D+01  0.886249D+00 -0.102388D+00  0.694176D+00
      3  -0.936418D-01  0.886249D+00 -0.160019D+01  0.116922D+01 -0.988768D+00
               126           127           128           129           130 
      1   0.116922D+01  0.156809D+02 -0.158795D+01  0.371780D+01 -0.414434D+01
      2  -0.988768D+00 -0.158795D+01  0.124852D+01 -0.254628D+00  0.170075D+01
      3   0.724385D+00  0.371780D+01 -0.254628D+00  0.216790D+01 -0.127964D+01
               131           132           133           134           135 
      1   0.170075D+01 -0.127964D+01  0.127533D+01 -0.346457D+00  0.124192D+01
      2  -0.517488D+00  0.442736D+00 -0.346457D+00 -0.422659D-01 -0.479018D+00
      3   0.442736D+00 -0.115852D+01  0.124192D+01 -0.479018D+00  0.739039D+00
               136           137           138           139           140 
      1  -0.514183D+00 -0.403643D+00  0.963436D+00 -0.124413D+01  0.320692D-01
      2  -0.403643D+00 -0.464944D+00  0.177167D+00  0.320692D-01 -0.162083D+00
      3   0.963436D+00  0.177167D+00 -0.336940D+01 -0.277770D+00  0.114814D+01
               141           142           143           144           145 
      1  -0.277770D+00  0.412837D+00 -0.106922D+00 -0.480375D+00  0.106145D+01
      2   0.114814D+01 -0.106922D+00  0.954172D+00 -0.864290D+00  0.796181D+00
      3  -0.191403D+01 -0.480375D+00 -0.864290D+00  0.755396D+01  0.127556D+00
               146           147           148           149           150 
      1   0.796181D+00  0.127556D+00  0.250985D+01  0.129893D+01  0.946721D+00
      2   0.478086D+00  0.511400D-01  0.129893D+01  0.635131D+01  0.116515D+01
      3   0.511400D-01 -0.396523D+00  0.946721D+00  0.116515D+01  0.175102D+01
               151           152           153           154           155 
      1  -0.418305D+00  0.105021D+00 -0.235789D+00  0.218901D+02  0.235768D+01
      2   0.105021D+00  0.440217D-01  0.654978D+00  0.235768D+01  0.186542D+01
      3  -0.235789D+00  0.654978D+00  0.323271D+00 -0.163436D+01 -0.109918D+00
               156           157           158           159           160 
      1  -0.163436D+01  0.538822D+01  0.427514D+01 -0.837265D+00 -0.227713D+01
      2  -0.109918D+00  0.427514D+01  0.218710D+01 -0.303877D+00 -0.472788D+00
      3   0.317593D+01 -0.837265D+00 -0.303877D+00  0.871586D+00  0.262859D+01
               161           162           163           164           165 
      1  -0.472788D+00  0.262859D+01  0.162388D+02 -0.307992D-02 -0.479160D+01
      2   0.203713D+00  0.639886D+00 -0.307992D-02  0.113992D+00  0.581397D+00
      3   0.639886D+00 -0.124434D+00 -0.479160D+01  0.581397D+00  0.131178D+01
               166           167           168           169           170 
      1   0.342462D+01 -0.784714D-02 -0.604240D+00 -0.104220D+01  0.710948D+00
      2  -0.784714D-02 -0.674507D+00 -0.149302D+01  0.710948D+00 -0.644182D+00
      3  -0.604240D+00 -0.149302D+01 -0.186161D-01  0.693686D+00 -0.981668D+00
               171           172           173           174           175 
      1   0.693686D+00 -0.124013D+02  0.188911D+00  0.262777D+01 -0.145452D+01
      2  -0.981668D+00  0.188911D+00 -0.400057D+00 -0.819782D+00  0.263731D+00
      3  -0.750610D+01  0.262777D+01 -0.819782D+00 -0.324488D+01  0.168976D+00
               176           177           178           179           180 
      1   0.263731D+00  0.168976D+00  0.754739D+01 -0.594750D+00 -0.258129D+01
      2  -0.792869D+00 -0.825827D+00 -0.594750D+00 -0.932274D+00  0.525753D-01
      3  -0.825827D+00 -0.728558D+00 -0.258129D+01  0.525753D-01 -0.259439D+00
               181           182           183           184           185 
      1  -0.570165D+01  0.165779D+00  0.398062D-01 -0.163163D+02 -0.100271D+01
      2   0.165779D+00 -0.105339D+02  0.131992D+01 -0.100271D+01  0.586551D+01
      3   0.398062D-01  0.131992D+01 -0.209438D+01 -0.154033D+01 -0.129299D+01
               186           187           188           189           190 
      1  -0.154033D+01  0.212608D+01 -0.150252D+00 -0.438257D+01 -0.391336D+02
      2  -0.129299D+01 -0.150252D+00 -0.207264D+01 -0.238776D+01 -0.524655D+01
      3  -0.100182D+01 -0.438257D+01 -0.238776D+01 -0.166325D+00 -0.130180D+01
               191           192           193           194           195 
      1  -0.524655D+01 -0.130180D+01  0.716129D+00 -0.435712D+01 -0.321448D-01
      2  -0.101292D+02  0.482345D+00 -0.435712D+01 -0.120472D+02  0.126653D+01
      3   0.482345D+00 -0.267715D+01 -0.321448D-01  0.126653D+01  0.218657D+00
               196           197           198           199           200 
      1  -0.208955D+01 -0.726566D+00 -0.739232D+01  0.432694D+02  0.104005D+02
      2  -0.726566D+00  0.392342D+00 -0.470562D+00  0.104005D+02  0.769178D+01
      3  -0.739232D+01 -0.470562D+00 -0.124300D+01  0.149911D+01 -0.610169D+00
               201           202           203           204           205 
      1   0.149911D+01  0.157229D+02  0.299756D+01  0.605695D+00  0.192982D+01
      2  -0.610169D+00  0.299756D+01  0.526656D+01  0.329127D+00  0.120969D+00
      3   0.648811D+00  0.605695D+00  0.329127D+00  0.186647D+01 -0.200257D-01
               206           207           208           209           210 
      1   0.120969D+00 -0.200257D-01  0.765557D+01  0.365655D+01  0.283215D+00
      2   0.109700D+01  0.459207D+01  0.365655D+01  0.351887D+01 -0.139515D+00
      3   0.459207D+01 -0.113559D+01  0.283215D+00 -0.139515D+00 -0.402313D+00
               211           212           213           214           215 
      1  -0.409118D+01 -0.376327D+01  0.136211D+00  0.110248D+01  0.633737D+00
      2  -0.376327D+01  0.135662D+01 -0.471779D+00  0.633737D+00  0.313449D+00
      3   0.136211D+00 -0.471779D+00 -0.898221D+00 -0.687188D-01  0.792968D+00
               216           217           218           219           220 
      1  -0.687188D-01 -0.254924D+01 -0.447255D+01 -0.470859D-01 -0.165705D+01
      2   0.792968D+00 -0.447255D+01 -0.611799D+00 -0.604558D+00  0.370732D+01
      3  -0.117118D+00 -0.470859D-01 -0.604558D+00  0.925299D+00 -0.747460D+00
               221           222           223           224           225 
      1   0.370732D+01 -0.747460D+00 -0.577827D+00 -0.804466D+00  0.334173D+01
      2   0.137379D+01  0.125350D+01 -0.804466D+00  0.778402D+00  0.437621D+01
      3   0.125350D+01  0.594757D+01  0.334173D+01  0.437621D+01 -0.106395D+01
               226           227           228           229           230 
      1   0.893280D-01 -0.138312D+01  0.158929D+00 -0.305802D+00 -0.146597D-01
      2  -0.138312D+01  0.154256D+01 -0.268002D+00 -0.146597D-01 -0.105031D+02
      3   0.158929D+00 -0.268002D+00  0.128938D+00  0.373542D-01  0.109678D+01
               231           232           233           234           235 
      1   0.373542D-01  0.598392D-02 -0.103360D+00 -0.296927D-01 -0.788504D+01
      2   0.109678D+01 -0.103360D+00  0.121499D+01 -0.288112D+00 -0.349219D+01
      3  -0.956714D+00 -0.296927D-01 -0.288112D+00  0.146372D+00 -0.235532D+00
               236           237           238           239           240 
      1  -0.349219D+01 -0.235532D+00 -0.520057D+01 -0.438930D+01  0.177403D+00
      2  -0.278062D+01  0.224951D-01 -0.438930D+01 -0.428462D+01  0.617905D-01
      3   0.224951D-01 -0.338197D+00  0.177403D+00  0.617905D-01 -0.527386D+00
               241           242           243           244           245 
      1  -0.197485D+00  0.248190D+00  0.404099D+00 -0.721663D+00  0.221436D+01
      2   0.248190D+00  0.200116D+00 -0.150351D+00  0.221436D+01 -0.173271D+01
      3   0.404099D+00 -0.150351D+00  0.143926D+00 -0.250672D+00  0.316764D+00
               246           247           248           249           250 
      1  -0.250672D+00  0.275572D+01 -0.343171D+01  0.458202D+00 -0.298972D+00
      2   0.316764D+00 -0.343171D+01  0.895794D+01 -0.107340D+01  0.516346D+00
      3  -0.269073D+00  0.458202D+00 -0.107340D+01  0.104478D+01 -0.297481D+00
               251           252           253           254           255 
      1   0.516346D+00 -0.297481D+00 -0.650804D+00 -0.290353D+00  0.163688D+01
      2  -0.106849D+01  0.283973D+00 -0.290353D+00  0.273968D-02  0.475027D+00
      3   0.283973D+00 -0.186655D+00  0.163688D+01  0.475027D+00 -0.416438D+00
               256           257           258           259           260 
      1  -0.249095D+01 -0.212869D+01  0.155497D+01  0.620091D+01  0.178396D+01
      2  -0.212869D+01 -0.196040D+01  0.155162D+01  0.178396D+01  0.171226D+01
      3   0.155497D+01  0.155162D+01 -0.248091D+01 -0.373544D+01 -0.240268D+01
               261           262           263           264           265 
      1  -0.373544D+01  0.669011D+00 -0.231649D+00 -0.989619D+00 -0.308027D+01
      2  -0.240268D+01 -0.231649D+00  0.201382D+00 -0.128536D+00 -0.251076D+01
      3   0.524464D+01 -0.989619D+00 -0.128536D+00  0.120265D+00 -0.174999D+01
               266           267           268           269           270 
      1  -0.251076D+01 -0.174999D+01 -0.442117D+01 -0.162364D+01 -0.321500D+01
      2  -0.324990D+01 -0.252162D+01 -0.162364D+01 -0.229344D+01 -0.288951D+01
      3  -0.252162D+01 -0.316127D+01 -0.321500D+01 -0.288951D+01 -0.453660D+01
               271           272           273           274           275 
      1  -0.131345D+02  0.337149D+01 -0.118153D+01  0.714186D+01 -0.270601D+01
      2   0.337149D+01 -0.143347D+01  0.312581D+00 -0.270601D+01  0.212085D+01
      3  -0.118153D+01  0.312581D+00 -0.113145D+01  0.641415D+00 -0.399759D+00
               276           277           278           279 
      1   0.641415D+00 -0.158240D+01  0.392117D+00 -0.181359D+01
      2  -0.399759D+00  0.392117D+00 -0.345129D+00  0.571031D-01
      3   0.464636D+00 -0.181359D+01  0.571031D-01 -0.403419D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.820699D+00 -0.390382D+01 -0.327480D+00 -0.313304D+01 -0.196971D+01
      2  -0.126575D+02  0.394801D+01  0.438894D+00  0.146211D+02  0.286641D+01
      3  -0.712316D+01  0.453811D+02 -0.568085D+01  0.450151D+02  0.221391D+02
                 6             7             8             9            10 
      1  -0.206955D+00  0.404685D+01  0.690615D+01 -0.523039D+00 -0.181756D+01
      2  -0.476636D-01 -0.219752D+02 -0.218835D+01 -0.150909D+01  0.155378D+02
      3   0.227593D-01 -0.120099D+01  0.205611D+01 -0.226971D+01  0.237083D+02
                11            12            13            14            15 
      1  -0.482625D+01 -0.100778D+00 -0.443576D+01  0.478058D+00 -0.685886D-01
      2   0.752465D+01 -0.376458D+01 -0.798678D+01  0.117415D+01 -0.407867D+00
      3   0.523182D+02 -0.389763D+01  0.629450D+02  0.186843D+02  0.277083D+01
                16            17            18            19            20 
      1   0.283641D+01  0.656784D+01 -0.744466D+00 -0.156303D+01  0.865845D+00
      2  -0.213552D+02 -0.103912D+00 -0.149678D+01  0.231172D+02 -0.623020D+00
      3  -0.172788D+01  0.259677D+01  0.130250D+01  0.240887D+02 -0.343091D+02
                21            22            23            24            25 
      1  -0.116759D+01  0.180351D+01 -0.233137D+01 -0.296172D+01  0.461180D+01
      2  -0.107767D+01  0.608912D+01  0.727138D+00 -0.237571D+01 -0.194512D+02
      3   0.567379D+01  0.104082D+02  0.440470D+01  0.593255D+00  0.146515D+01
                26            27            28            29            30 
      1  -0.112489D+01 -0.151410D+01 -0.323140D+01 -0.934673D+00  0.444380D+00
      2  -0.797007D+01  0.328918D+00 -0.224946D+02 -0.381198D+00  0.183049D+01
      3  -0.217819D+01  0.475491D+01  0.496365D+00  0.931058D+01 -0.173139D+01
                31            32            33            34            35 
      1  -0.489468D+01  0.609783D+01  0.184589D+01  0.305371D+01  0.149119D+02
      2   0.294330D+01 -0.135607D+01  0.182090D+01 -0.168573D+02 -0.272703D+01
      3   0.323771D+02  0.493952D+01 -0.119385D+01  0.307871D+00  0.158234D+01
                36            37            38            39            40 
      1  -0.102994D+01 -0.128450D+01  0.190434D+01 -0.410344D+01 -0.811101D+00
      2  -0.167043D+01  0.370923D+01  0.237475D+00  0.223699D+01 -0.834201D+01
      3  -0.243844D+01  0.338525D+02  0.254145D+01  0.669562D+00 -0.122687D+02
                41            42            43            44            45 
      1  -0.226361D+01 -0.226848D+00 -0.167052D+02  0.977412D+01 -0.242342D+01
      2   0.141483D+01  0.774335D+00 -0.775570D+01  0.691317D+01 -0.155072D+01
      3   0.462262D+01  0.915951D+00  0.278153D+01  0.144471D+01  0.698196D+01
                46            47            48            49            50 
      1   0.405230D+01  0.117642D+01  0.389192D+01  0.256615D+01  0.119285D+01
      2  -0.567908D+01 -0.533535D+01  0.700718D+00 -0.454095D+01 -0.338391D+01
      3  -0.636558D+02 -0.361426D+02  0.453353D+00 -0.116855D+02 -0.250814D+02
                51            52            53            54            55 
      1  -0.273262D+01  0.632203D+01 -0.482544D+01  0.364289D+01  0.152126D+01
      2   0.729070D+00 -0.190397D+02  0.239068D+01 -0.208636D+01  0.410693D-01
      3   0.599054D+00 -0.145452D+01 -0.130742D+01 -0.585803D+01 -0.318650D+02
                56            57            58            59            60 
      1   0.523708D+01  0.295666D+01 -0.495689D-01  0.115028D+01 -0.238651D+01
      2  -0.491872D+01 -0.398100D+01 -0.133475D+01 -0.780054D+00  0.317317D+01
      3  -0.384781D+02  0.377889D+01 -0.180459D+01 -0.273365D+02  0.135258D+01
                61            62            63            64            65 
      1   0.327251D+01 -0.453300D+01  0.139427D+01 -0.527352D+00 -0.164814D-01
      2  -0.238183D+02  0.700400D+01 -0.430388D+01  0.291515D+00  0.511211D+00
      3   0.117510D+01 -0.253032D+01 -0.101460D+02  0.857459D+00  0.485434D+00
                66            67            68            69            70 
      1   0.779223D+00  0.587235D+00 -0.191863D+01 -0.364964D+01 -0.123405D+00
      2   0.847245D-01  0.900068D+00  0.166489D+00 -0.118934D+01 -0.162494D+01
      3   0.570818D-01  0.419964D+01  0.558541D+01 -0.671624D+00 -0.214836D+00
                71            72            73            74            75 
      1   0.251102D+01  0.442788D+00 -0.698668D+00  0.269822D+00 -0.280780D+01
      2   0.100972D+01  0.220845D-01 -0.807046D+00 -0.729538D+00  0.229464D+01
      3  -0.759851D+00 -0.524689D+00  0.112135D+02  0.146949D+00  0.711845D+00
                76            77            78            79            80 
      1   0.126872D+01  0.945157D+00 -0.249357D+01  0.208477D+01  0.905060D+00
      2  -0.149759D+01 -0.962928D+00  0.253578D+01 -0.237002D+01  0.257411D+00
      3   0.183700D+01 -0.164438D+01 -0.197407D+00  0.214702D+01 -0.136226D+00
                81            82            83            84            85 
      1   0.345134D+00  0.710583D+00 -0.654981D+00  0.101863D+01 -0.276587D+00
      2  -0.400828D+00 -0.481064D+00  0.431394D-01  0.457102D+00  0.373403D+00
      3  -0.932750D+00 -0.457022D+01  0.229411D+01 -0.586338D+00  0.476940D+01
                86            87            88            89            90 
      1   0.267080D+01 -0.510833D+01 -0.117361D+01  0.171829D+01  0.303221D+00
      2  -0.388927D+00 -0.663342D+00 -0.369940D+00 -0.963464D+00  0.351479D+00
      3  -0.369957D+01  0.587654D+00 -0.103698D+01  0.109900D+01  0.107512D+01
                91            92            93            94            95 
      1  -0.131509D+01 -0.257805D+00 -0.111797D+01 -0.246103D+01  0.255862D+01
      2   0.160051D+02 -0.127099D+01 -0.791966D+01 -0.608385D+01 -0.276404D+01
      3   0.634393D+01 -0.784064D+01  0.205577D+01  0.931135D+01 -0.231709D+02
                96            97            98            99           100 
      1  -0.317483D+01 -0.511254D+01  0.309259D+01 -0.640562D+00  0.547190D+01
      2  -0.103495D+01 -0.396070D+02 -0.204251D+01  0.533270D+01  0.101369D+02
      3   0.473854D+01  0.472628D+01  0.360089D+01  0.595498D+01 -0.177894D+02
               101           102           103           104           105 
      1   0.688230D+00 -0.102813D+00 -0.202767D+01 -0.117348D+02 -0.387805D+01
      2  -0.291656D+01  0.226692D+02 -0.172446D+01  0.800868D+00  0.906716D+01
      3  -0.188474D+01 -0.294261D+01  0.441316D+01  0.252165D+02  0.823144D+00
               106           107           108           109           110 
      1   0.210264D+01  0.188892D+01  0.676244D+01  0.802430D+01  0.325196D+01
      2   0.170355D+02  0.705664D+01 -0.122090D+02 -0.161941D+02  0.933816D+00
      3  -0.493095D+01 -0.391818D+00 -0.919463D+01  0.341558D+01  0.156774D+02
               111           112           113           114           115 
      1   0.631998D+01  0.138669D+02 -0.822074D+00 -0.157013D+02  0.668205D+01
      2   0.120923D+01  0.583491D+01 -0.886641D+00 -0.675893D+01  0.153445D+02
      3  -0.418400D+00  0.200804D+02  0.125401D+02 -0.292652D+01  0.741373D+00
               116           117           118           119           120 
      1  -0.494397D+01 -0.536555D+00 -0.456417D+00  0.447418D+00  0.180916D+00
      2  -0.176360D+01 -0.203573D+00  0.138988D+01  0.438039D+00  0.302778D+01
      3  -0.311561D+01 -0.393839D+01  0.705130D+01 -0.142509D+01 -0.119544D+00
               121           122           123           124           125 
      1   0.747083D+00 -0.404656D+01 -0.208159D+01  0.232291D+00  0.752279D+00
      2   0.115248D+01  0.190993D+01 -0.500154D+01  0.224218D+01 -0.278568D+01
      3  -0.140243D+01  0.242652D+02 -0.327629D+01  0.663378D+00 -0.244036D+01
               126           127           128           129           130 
      1   0.435985D+00 -0.315039D+01  0.358032D+01 -0.151688D+00  0.345936D+01
      2   0.161178D+01 -0.113255D+02  0.196748D+01  0.623818D+01  0.175995D+01
      3   0.254439D+01  0.856774D+01 -0.848006D+01  0.150879D+01 -0.699604D+01
               131           132           133           134           135 
      1  -0.643787D+00 -0.304627D+00 -0.102510D+01  0.749512D+00 -0.107968D+01
      2  -0.115804D+01 -0.347039D+01  0.236200D+01 -0.116330D+01  0.515906D+00
      3   0.139090D+01 -0.171133D+01  0.100846D+01 -0.159564D+01  0.228694D+01
               136           137           138           139           140 
      1  -0.166719D+01 -0.240235D+01  0.690010D+00 -0.804829D+00 -0.636118D+00
      2   0.759616D+01  0.183250D+01 -0.146191D+02  0.154223D+01  0.443897D+01
      3   0.217501D+01  0.175003D+01 -0.797847D+00  0.140555D+01  0.342655D+00
               141           142           143           144           145 
      1   0.135592D+01  0.143803D-01  0.399484D+01 -0.276614D+01  0.267627D+01
      2  -0.722599D+01 -0.644074D+01 -0.378574D+01  0.308908D+02 -0.812624D+00
      3  -0.423326D+01  0.553611D+00 -0.310026D+01  0.372710D+01 -0.462870D+01
               146           147           148           149           150 
      1   0.773781D+00  0.363770D+00  0.116430D+01  0.142692D+02 -0.999387D+00
      2  -0.116159D+01 -0.129900D+01 -0.552129D+00  0.221264D+01  0.560726D+01
      3  -0.155143D+01 -0.739648D+00 -0.632069D+00 -0.280614D+02 -0.358354D+01
               151           152           153           154           155 
      1   0.522950D+00  0.686604D+00  0.127834D+01 -0.616948D+01 -0.333346D+01
      2  -0.112323D+01  0.209480D+01  0.149781D+01  0.698585D+01  0.994597D+00
      3  -0.188575D+01  0.497701D+00 -0.288392D+01 -0.140005D+02 -0.238645D+02
               156           157           158           159           160 
      1  -0.212855D+01 -0.941358D+01 -0.250191D+01  0.537436D+00 -0.446601D+00
      2   0.237304D+02 -0.512822D+01  0.155875D+01  0.792516D+01  0.724845D+01
      3   0.178217D+00 -0.181581D+02 -0.146690D+02  0.208968D+01  0.121253D+01
               161           162           163           164           165 
      1   0.336703D+01 -0.840602D+00 -0.812771D+01 -0.182442D+01  0.163626D+00
      2   0.278470D+01  0.329866D+00  0.122776D+02  0.318885D+01  0.191691D+01
      3   0.233363D+01 -0.322972D+01 -0.104787D+02 -0.385745D+01  0.700364D+00
               166           167           168           169           170 
      1  -0.546915D+01  0.196482D+01  0.438517D+01  0.228126D+01  0.828095D+01
      2   0.377034D+01 -0.598092D+01  0.114243D+01 -0.822431D+01 -0.306761D+01
      3  -0.251001D+01  0.232780D+01  0.739515D+01 -0.842007D+00  0.338974D+01
               171           172           173           174           175 
      1  -0.359802D+01  0.706498D+01  0.139593D+01 -0.265855D+01  0.571071D+01
      2  -0.258320D+02 -0.231495D+02 -0.306582D+01 -0.663585D+01 -0.401321D+01
      3   0.418293D+01  0.104509D+02  0.220607D+01  0.178462D+00  0.606541D+01
               176           177           178           179           180 
      1  -0.744430D+00 -0.247082D+01 -0.315681D+01 -0.561451D+00  0.110067D+01
      2  -0.298209D+01 -0.186853D+01 -0.970229D+00 -0.316645D+00 -0.309982D+01
      3   0.103907D+01  0.143530D+01 -0.357758D+01 -0.365179D+00  0.166222D+01
               181           182           183           184           185 
      1   0.215855D+00 -0.397847D+01 -0.385390D+01 -0.660287D-01  0.125419D+01
      2   0.249251D+01  0.149146D+01  0.726098D+01  0.128828D+01  0.204363D+01
      3   0.160265D+02  0.100344D+02 -0.110979D+01 -0.164383D+02  0.727291D+01
               186           187           188           189           190 
      1  -0.137231D+01 -0.133259D+02  0.758748D+01 -0.260250D+01 -0.226442D+01
      2   0.216787D+01 -0.202428D+01  0.120006D+02  0.119689D+00  0.123117D+02
      3  -0.198547D+01  0.202673D+01 -0.489847D+00  0.128889D+01  0.258085D+02
               191           192           193           194           195 
      1  -0.520182D+01  0.101779D+01 -0.506118D+01 -0.121529D+01  0.241146D+01
      2   0.443811D+01 -0.172450D+01  0.680526D+01  0.246303D+01  0.328471D+00
      3   0.252205D+02 -0.405522D+00  0.525603D+02  0.107119D+02  0.277915D+01
               196           197           198           199           200 
      1   0.145851D+00  0.142499D+02 -0.171653D+01  0.560396D+00  0.491082D+01
      2   0.187429D+01 -0.490224D+01  0.212197D+01 -0.110967D+02 -0.624277D+01
      3  -0.377592D+01  0.280574D+01 -0.105148D+01 -0.540089D+01 -0.462394D+02
               201           202           203           204           205 
      1  -0.489490D+00  0.172889D+01  0.189602D+01 -0.235519D+01  0.575943D+01
      2   0.297016D+01 -0.653113D+01 -0.444855D+01 -0.320357D+01 -0.206351D+02
      3   0.343011D+01 -0.788363D+01 -0.128305D+02  0.174100D+01  0.219044D+01
               206           207           208           209           210 
      1   0.120670D+01  0.939232D+00  0.188819D+01  0.438383D+01 -0.115529D+01
      2  -0.171231D+02  0.186844D+01 -0.360580D+01 -0.392379D+01  0.151597D+02
      3   0.366141D+00  0.860999D+01 -0.127053D+02 -0.437611D+02  0.163823D+01
               211           212           213           214           215 
      1  -0.587712D+00 -0.155446D+01 -0.434883D+01 -0.295052D+01 -0.158297D+01
      2  -0.260707D+00  0.274382D+01  0.424285D+01 -0.616039D+01 -0.194083D+01
      3  -0.151478D+01  0.145704D+02 -0.197893D+01 -0.785886D+00 -0.487902D+01
               216           217           218           219           220 
      1   0.218834D+00  0.422063D+00 -0.178283D+01  0.127577D+01 -0.109539D+01
      2   0.872327D+00  0.693842D-01  0.459729D+01 -0.651060D+01  0.460094D+01
      3   0.383718D+01 -0.284725D+02  0.162558D+02 -0.580821D+01  0.357916D+02
               221           222           223           224           225 
      1  -0.744767D+00  0.253710D+01  0.123802D+02  0.490626D+01 -0.138712D+01
      2  -0.581485D+01 -0.378720D+02 -0.258364D+02 -0.289087D+02  0.739982D+01
      3   0.224719D+02  0.800374D+01 -0.507876D+01  0.584521D+01  0.290954D+02
               226           227           228           229           230 
      1   0.135644D+00 -0.166596D+00  0.923128D+00  0.233888D-01 -0.646576D+00
      2  -0.713398D+00  0.839158D+00  0.956909D-01  0.383066D+00 -0.215935D+01
      3  -0.619258D+01  0.453027D+01 -0.989963D+00  0.364280D+01 -0.211168D+02
               231           232           233           234           235 
      1  -0.451802D+01 -0.932457D-01  0.270535D+01  0.187065D+00 -0.115736D+01
      2   0.108122D+01  0.189704D+00 -0.247881D+00  0.107939D-01  0.239266D+01
      3   0.229381D+01 -0.965911D+00  0.303361D+01  0.966671D-01  0.521002D+01
               236           237           238           239           240 
      1  -0.353645D+00 -0.184626D+01  0.659127D-01 -0.162824D+00 -0.226190D+01
      2   0.371995D+00  0.220209D+01 -0.606981D-01  0.151514D+00  0.304836D+01
      3  -0.554685D+01  0.767969D+00 -0.594694D+01 -0.106419D+02  0.512353D-01
               241           242           243           244           245 
      1   0.233193D+01  0.724290D+00  0.296008D+00  0.117797D+00 -0.242850D+00
      2  -0.282736D+01  0.169015D+00 -0.678011D+00  0.592732D+00 -0.679596D+00
      3   0.173553D+01  0.560699D+00 -0.134818D+01  0.386039D+01 -0.248479D+01
               246           247           248           249           250 
      1   0.963999D+00 -0.332092D+00  0.649757D-01 -0.396804D+01 -0.283359D+00
      2   0.105552D+01 -0.806916D+00  0.275716D+01 -0.333377D+01 -0.152084D+01
      3   0.498766D+00 -0.222875D+01  0.213368D+02 -0.233279D+01  0.752390D+00
               251           252           253           254           255 
      1   0.162787D+01  0.333070D+00 -0.354577D+00  0.218884D+00 -0.123317D+00
      2  -0.127061D+00  0.346538D+00 -0.105873D+02 -0.282613D+01  0.334843D+01
      3  -0.238230D+01  0.333279D+00 -0.384859D+01 -0.266407D+01  0.271039D+01
               256           257           258           259           260 
      1   0.145473D+01  0.980646D+00 -0.257012D+01 -0.356580D+01  0.884738D+00
      2  -0.802139D+01 -0.959740D+01  0.156409D+02  0.190169D+02  0.156732D+02
      3  -0.125761D+02 -0.166625D+02  0.993115D+01  0.969669D+01  0.137984D+02
               261           262           263           264           265 
      1   0.422262D+01  0.121114D+01 -0.420154D-01  0.722007D+00 -0.359515D+00
      2  -0.322323D+02  0.669275D+01  0.634277D-01 -0.201923D+00  0.708761D+01
      3  -0.158850D+02 -0.375658D+01 -0.803037D+00 -0.294356D+00 -0.142171D+02
               266           267           268           269           270 
      1   0.113950D+01 -0.218392D+01 -0.179894D+01  0.183786D+01 -0.252665D+01
      2   0.134671D+02  0.185437D+02  0.143286D+02  0.171145D+02  0.254961D+02
      3  -0.250832D+02 -0.153344D+02 -0.854192D+01 -0.167180D+02 -0.182960D+02
               271           272           273           274           275 
      1  -0.110824D+01  0.817777D+00  0.423137D+00  0.768849D+00 -0.763640D+00
      2   0.402731D+01 -0.130849D+01  0.874833D+01 -0.226727D+01  0.176730D+01
      3   0.235350D+02 -0.135289D+02  0.247358D+01 -0.172106D+02  0.139625D+02
               276           277           278           279 
      1  -0.991531D+00 -0.109373D+01  0.443607D+00  0.636601D-01
      2  -0.337506D+01  0.899703D+01 -0.166891D+00  0.209151D+01
      3  -0.263414D+01  0.283578D+01 -0.262068D+01  0.262536D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.898459D+02 -0.384917D+02 -0.166808D+01  0.935432D+02 -0.816563D+01
      2   0.413957D+02  0.204238D+02  0.108388D+01 -0.432060D+02  0.107190D+02
      3   0.484503D+02  0.180679D+02  0.584201D+00 -0.503372D+02 -0.255335D+01
      4  -0.318442D+02  0.236492D+01 -0.200148D+01 -0.354967D+01  0.781080D+01
      5   0.143747D+01 -0.165594D+01  0.101623D+01 -0.316571D+01 -0.292916D+01
      6   0.150501D+01  0.184756D+01  0.690205D+00 -0.347744D+01 -0.321486D+01
                 6             7             8             9            10 
      1   0.665122D+01 -0.192951D+02 -0.307027D+01 -0.113906D+02  0.758602D+02
      2  -0.474818D+01  0.840044D+01  0.106813D+01 -0.108391D+01 -0.255411D+02
      3  -0.190304D+01  0.108946D+02  0.200214D+01  0.124745D+02 -0.503191D+02
      4  -0.124600D+01 -0.216995D+01 -0.616653D+00  0.296233D+00  0.915283D+01
      5  -0.657669D+00  0.146800D+01  0.173840D+01 -0.150418D+01  0.187778D+01
      6  -0.241999D-01 -0.255152D+01  0.308516D+01  0.562251D+00 -0.521173D+01
                11            12            13            14            15 
      1  -0.301022D+01  0.720416D+01 -0.109770D+03 -0.202812D+02 -0.664154D+01
      2   0.364210D+01 -0.231205D+01  0.479856D+02  0.182965D+02  0.113378D+01
      3  -0.631875D+00 -0.489211D+01  0.617846D+02  0.198475D+01  0.550776D+01
      4  -0.380556D+01  0.418499D+00 -0.172074D+02 -0.143780D+02  0.357966D+00
      5  -0.188307D+01 -0.695818D+01  0.506773D+01  0.230087D+01  0.218653D+00
      6  -0.943187D+00 -0.487747D+00  0.236744D+01  0.394430D+00 -0.408513D+00
                16            17            18            19            20 
      1   0.192349D+02  0.102232D+01 -0.773790D+01  0.674713D+02  0.422061D+02
      2  -0.712063D+01 -0.156213D+01 -0.205035D+01 -0.249393D+02 -0.255222D+02
      3  -0.121143D+02  0.539804D+00  0.978826D+01 -0.425319D+02 -0.166839D+02
      4   0.294331D+01  0.648534D+00 -0.181249D+01  0.357928D+02 -0.753852D+01
      5  -0.648788D+00 -0.194790D+01 -0.193117D+01 -0.430600D+01  0.113735D+01
      6  -0.204314D+01  0.291225D+01  0.152285D+01 -0.443423D+01 -0.508414D+01
                21            22            23            24            25 
      1   0.456516D+01 -0.974908D+01  0.230265D+02 -0.139361D+01  0.857789D+01
      2  -0.150994D+01  0.202356D+02 -0.279490D+02  0.448246D+01 -0.484021D+01
      3  -0.305522D+01 -0.104865D+02  0.492252D+01 -0.308885D+01 -0.373769D+01
      4   0.204607D+01  0.167465D+02  0.240625D+01 -0.166327D+01  0.383563D+01
      5  -0.716137D+01 -0.107514D+01 -0.288807D+01 -0.836688D+01  0.106141D+02
      6   0.103211D+01 -0.504787D+01  0.454979D+01  0.505145D+01 -0.215131D+01
                26            27            28            29            30 
      1   0.444080D+01 -0.131493D+02  0.237380D+01 -0.241403D+01 -0.538135D+01
      2   0.334094D+01 -0.864089D+00 -0.268707D+02  0.134632D+01  0.106955D+01
      3  -0.778174D+01  0.140134D+02  0.244969D+02  0.106771D+01  0.431180D+01
      4  -0.296424D+01 -0.500989D+01 -0.234530D+02  0.100179D+02 -0.129678D+00
      5  -0.910162D+01 -0.381993D+00  0.880335D+01  0.225587D+01  0.115751D+02
      6   0.124503D+02 -0.290789D+01  0.733786D+01  0.293645D+01 -0.252098D+01
                31            32            33            34            35 
      1  -0.500239D+02 -0.588136D+02  0.577078D+01 -0.902739D+00  0.402137D+01
      2   0.395143D+02  0.503432D+02 -0.630725D+01 -0.504764D+01 -0.509439D+01
      3   0.105097D+02  0.847039D+01  0.536478D+00  0.595038D+01  0.107302D+01
      4  -0.318173D+02 -0.746711D+00 -0.115558D+01  0.518249D+01 -0.419132D+00
      5   0.567923D+01 -0.764320D+00  0.370010D+01  0.347468D+02  0.374680D+01
      6  -0.402182D+01  0.116123D+01 -0.346315D+01 -0.451352D+01  0.287070D+01
                36            37            38            39            40 
      1  -0.133838D+01 -0.163751D+02 -0.571010D+02  0.306989D+01  0.363350D+02
      2  -0.105097D+02  0.933369D+01  0.435765D+02 -0.202357D+01 -0.404441D+02
      3   0.118481D+02  0.704139D+01  0.135245D+02 -0.104632D+01  0.410911D+01
      4  -0.261572D+01 -0.955151D+01 -0.776387D+01 -0.393052D+00  0.800566D+01
      5   0.112247D+01  0.149254D+01 -0.322366D+01  0.617755D+01  0.315341D+01
      6   0.212443D+01 -0.336120D+01  0.256455D+01  0.721761D+01  0.843707D+01
                41            42            43            44            45 
      1   0.347458D+02 -0.469739D+01 -0.779722D+01 -0.122797D+02 -0.932445D+01
      2  -0.315137D+02  0.178862D+01  0.716781D+01  0.844573D+01 -0.650074D+00
      3  -0.323212D+01  0.290877D+01  0.629407D+00  0.383401D+01  0.997452D+01
      4  -0.137133D+02  0.350454D+01 -0.216174D+01  0.215694D+01  0.915842D+01
      5   0.499074D+01  0.614912D+01  0.166813D+02  0.583201D+01  0.270278D+00
      6  -0.830972D+00  0.197769D+01  0.192930D+02  0.761010D+01  0.538683D+01
                46            47            48            49            50 
      1   0.220047D+02  0.383675D+02  0.593057D+00 -0.180162D+02 -0.671776D+00
      2  -0.191848D+02 -0.299421D+02 -0.134077D+00  0.127097D+02 -0.118382D+02
      3  -0.281988D+01 -0.842541D+01 -0.458981D+00  0.530646D+01  0.125099D+02
      4  -0.418017D-01 -0.367746D+01  0.709901D+00  0.583888D+01  0.106241D+02
      5  -0.467968D+01  0.301987D+01 -0.123423D+01 -0.265928D+00 -0.701685D+00
      6   0.361366D+01 -0.518824D+01 -0.491716D+01 -0.488791D-02  0.740055D+01
                51            52            53            54            55 
      1  -0.437276D+01  0.633278D+01 -0.745851D+00 -0.227276D+02  0.273805D+02
      2   0.461650D+01 -0.519869D+01  0.405967D+01  0.116745D+02 -0.193470D+02
      3  -0.243742D+00 -0.113409D+01 -0.331382D+01  0.110531D+02 -0.803344D+01
      4  -0.129962D+01 -0.176143D+00 -0.413283D+01 -0.251910D+01  0.222240D+02
      5  -0.295447D+00  0.315956D+01  0.891147D+00 -0.234854D+01  0.286876D+01
      6   0.647271D+01 -0.266795D+01  0.228281D+02 -0.256934D+01  0.215894D+01
                56            57            58            59            60 
      1   0.484282D+02 -0.728833D+00  0.626074D+01  0.228123D+02 -0.459505D+01
      2  -0.314209D+02 -0.230450D+00  0.141285D+01 -0.229860D+02  0.550962D+01
      3  -0.170074D+02  0.959283D+00 -0.767359D+01  0.173718D+00 -0.914577D+00
      4  -0.387943D+02  0.412706D+01  0.288920D+02  0.162218D+02  0.156461D+01
      5   0.521677D+01 -0.954249D+01 -0.297355D+01  0.897558D+00  0.433484D+01
      6  -0.163685D+01 -0.530795D+01 -0.667589D+00  0.614636D+01  0.555225D+01
                61            62            63            64            65 
      1   0.283711D+01 -0.200654D+01 -0.207138D+02 -0.114084D+01  0.290091D+01
      2  -0.203608D+01  0.731400D+01  0.883733D+01  0.406499D+01 -0.415739D+01
      3  -0.801032D+00 -0.530746D+01  0.118765D+02 -0.292415D+01  0.125647D+01
      4  -0.271190D+01 -0.377390D+01  0.138456D+02 -0.534551D+01  0.986955D+01
      5   0.176792D+01  0.167819D+02 -0.715702D+01  0.130235D+01 -0.175251D+01
      6   0.220596D+01  0.221102D+02 -0.447296D+01 -0.196854D+01  0.175880D+01
                66            67            68            69            70 
      1  -0.350139D+00  0.791204D+01 -0.330609D+02  0.496865D+01  0.785321D-01
      2   0.279425D+00 -0.107963D+02  0.397951D+02 -0.394801D+01  0.241767D+00
      3   0.707145D-01  0.288431D+01 -0.673421D+01 -0.102064D+01 -0.320299D+00
      4  -0.141031D+01  0.104711D+02 -0.186552D+02  0.248199D+01 -0.157811D+01
      5   0.138113D+01 -0.196029D+01  0.165486D+01 -0.205426D+01  0.668232D-01
      6  -0.997744D+00  0.316837D+01 -0.987684D+01  0.673763D+01 -0.181859D+01
                71            72            73            74            75 
      1   0.350143D+01 -0.383933D+01  0.105444D+02 -0.599503D+00  0.233137D+00
      2  -0.367124D+01  0.397044D+01  0.682974D+00  0.788352D+01 -0.572875D+00
      3   0.169814D+00 -0.131111D+00 -0.112274D+02 -0.728402D+01  0.339738D+00
      4   0.274384D+01 -0.986878D+00  0.266922D+02  0.196096D+02  0.475242D-01
      5   0.219482D-01  0.670974D+00  0.258670D+01  0.319489D+00  0.452650D+01
      6   0.371026D+01 -0.204432D+01  0.191509D+01  0.925945D+00  0.255194D+01
                76            77            78            79            80 
      1  -0.351225D+01 -0.916215D+01 -0.686920D-01  0.202931D+01  0.838193D+00
      2   0.134235D+02  0.189590D+02 -0.132467D+00 -0.215697D+01 -0.121265D+01
      3  -0.991124D+01 -0.979687D+01  0.201159D+00  0.127664D+00  0.374458D+00
      4   0.260781D+02  0.261391D+02 -0.289506D+00 -0.141823D+01 -0.162342D+01
      5  -0.115062D+00 -0.184912D-01  0.332147D+01 -0.600705D-01  0.185838D+01
      6   0.844804D+00  0.147090D+01  0.412011D+01 -0.968273D+00  0.220356D+01
                81            82            83            84            85 
      1   0.445349D+00 -0.489460D+01  0.680392D+01 -0.123380D+01  0.269088D+01
      2   0.619489D+00  0.693778D+01 -0.924004D+01  0.114430D+01 -0.317119D+01
      3  -0.106484D+01 -0.204318D+01  0.243612D+01  0.895050D-01  0.480312D+00
      4   0.221732D+01 -0.272213D+01  0.115214D+02 -0.979492D+00  0.607943D+01
      5  -0.594130D+00 -0.396034D+00 -0.118157D+00  0.166833D+01 -0.179874D+00
      6  -0.719880D+00 -0.483078D+00  0.116050D+01 -0.133030D+01  0.447694D-01
                86            87            88            89            90 
      1  -0.549456D+02  0.532851D+01 -0.131567D+01  0.661283D+01 -0.310397D+01
      2   0.724841D+02 -0.591724D+01  0.122600D+01 -0.783604D+01  0.350599D+01
      3  -0.175385D+02  0.588732D+00  0.896724D-01  0.122320D+01 -0.402023D+00
      4  -0.905024D+01  0.545685D+00 -0.664020D+00  0.152373D+01 -0.150335D+01
      5  -0.183814D+01 -0.454120D+00  0.842349D+00 -0.109454D+01  0.433104D+00
      6  -0.454182D+01  0.782186D+01  0.456904D+00  0.424175D+01 -0.169242D+01
                91            92            93            94            95 
      1  -0.171105D+02 -0.539763D+01  0.108416D+02 -0.647112D+01  0.155568D+02
      2   0.257609D+02  0.585529D+01  0.861518D+00  0.106220D+02 -0.207149D+02
      3  -0.865043D+01 -0.457666D+00 -0.117031D+02 -0.415088D+01  0.515810D+01
      4   0.125918D+00  0.183140D+01 -0.454552D+01 -0.261731D+01  0.392292D+02
      5  -0.639439D+00 -0.591802D+01 -0.240907D+02 -0.229710D+02 -0.499978D+01
      6  -0.620402D+01 -0.213016D+01 -0.930106D+00  0.322760D-01  0.984009D+01
                96            97            98            99           100 
      1  -0.131758D+02  0.881977D+01 -0.535627D+01 -0.251891D+02 -0.654720D+02
      2   0.148359D+02  0.185568D+01  0.516820D+01  0.183724D+02  0.367746D+02
      3  -0.166012D+01 -0.106754D+02  0.188067D+00  0.681674D+01  0.286975D+02
      4  -0.465231D+01 -0.111827D+02 -0.416700D+01 -0.329669D+01  0.274910D+02
      5  -0.475698D+01 -0.650222D+02 -0.626553D+01 -0.373489D+01 -0.380679D+02
      6  -0.144449D+01 -0.578931D+00 -0.964795D+00 -0.467423D+01  0.131917D+02
               101           102           103           104           105 
      1   0.191558D+02 -0.345843D+02  0.372973D+02  0.592282D+00 -0.137269D+00
      2  -0.101041D+02  0.288855D+01 -0.286041D+02 -0.703128D+01 -0.113537D+02
      3  -0.905173D+01  0.316957D+02 -0.869317D+01  0.643900D+01  0.114910D+02
      4  -0.132213D+01  0.398515D+01 -0.565780D+01 -0.408789D+02 -0.226526D+01
      5   0.861444D+01  0.181695D+02  0.260266D+02 -0.919473D+00  0.190286D+02
      6  -0.267499D-01  0.556139D+00 -0.900609D-01 -0.176794D+02 -0.147159D+00
               106           107           108           109           110 
      1  -0.652617D+01 -0.296398D+01  0.384178D+02 -0.110498D+03 -0.148059D+02
      2  -0.141058D+02 -0.496929D+01 -0.115514D+02  0.498933D+02  0.296169D+01
      3   0.206320D+02  0.793327D+01 -0.268664D+02  0.606047D+02  0.118443D+02
      4   0.618556D+01  0.209087D+01  0.145876D+02 -0.222558D+02 -0.187802D+02
      5   0.439258D+02  0.142578D+02  0.125743D+02  0.232858D+02  0.826223D+01
      6   0.434492D+01  0.185491D+01  0.117520D+02  0.657160D+01  0.137430D+01
               111           112           113           114           115 
      1   0.118898D+02 -0.291363D+02 -0.114925D+02  0.828646D+01 -0.326051D+02
      2  -0.588086D+01  0.875610D+01  0.113815D+02 -0.432820D+01  0.251012D+02
      3  -0.600890D+01  0.203802D+02  0.111000D+00 -0.395825D+01  0.750392D+01
      4   0.544603D+01  0.210193D+01 -0.178538D+02  0.445104D+00  0.706277D+01
      5  -0.725940D+01  0.172516D+02  0.238897D+01 -0.397833D+01  0.329717D+02
      6  -0.316438D+01  0.245624D+01  0.985137D+00  0.806936D+00  0.454801D+00
               116           117           118           119           120 
      1   0.572908D+01  0.300614D+02 -0.710823D+01 -0.634983D+01 -0.409911D+00
      2  -0.255424D+01 -0.871261D+01  0.872388D+01  0.236829D+01  0.206044D+00
      3  -0.317484D+01 -0.213488D+02 -0.161565D+01  0.398154D+01  0.203867D+00
      4  -0.364736D+00  0.262446D+01 -0.918178D+01  0.749990D+01 -0.714687D+00
      5   0.359361D+01 -0.809084D+01  0.545931D+00 -0.117314D+01  0.701830D+01
      6  -0.489626D+01 -0.387222D+01 -0.250861D+01  0.812571D+00 -0.192146D+00
               121           122           123           124           125 
      1  -0.858514D+01 -0.181914D+02  0.592926D+01 -0.224980D+01  0.217232D+01
      2  -0.212652D+00  0.303467D+02 -0.478560D+01  0.161737D+01 -0.654956D+00
      3   0.879779D+01 -0.121553D+02 -0.114366D+01  0.632436D+00 -0.151736D+01
      4   0.166268D+02 -0.470019D+02  0.607249D+01 -0.516207D+00  0.447649D+01
      5  -0.124360D+01  0.574344D+01 -0.115448D+02  0.932746D+01 -0.601623D+01
      6   0.232875D+01 -0.111058D+02  0.621223D+01 -0.205533D+01  0.660463D+01
               126           127           128           129           130 
      1  -0.740326D+00  0.109342D+03 -0.136009D+02  0.213338D+02 -0.259872D+02
      2   0.549139D+00 -0.663161D+02  0.694925D+01 -0.179012D+02  0.153446D+02
      3   0.191187D+00 -0.430255D+02  0.665170D+01 -0.343256D+01  0.106426D+02
      4  -0.638407D+01 -0.210070D+02  0.151690D+02 -0.411112D+01  0.213080D+02
      5   0.485692D+01  0.633449D+02 -0.663445D+01  0.286335D+02 -0.185749D+02
      6  -0.242566D+01 -0.801765D+01  0.598519D+01 -0.195661D+01  0.784314D+01
               131           132           133           134           135 
      1   0.115959D+02 -0.388030D+01  0.937910D+01 -0.511819D+00  0.671690D+01
      2  -0.453115D+01  0.554269D+01 -0.900948D+01  0.175537D+01 -0.772790D+01
      3  -0.706476D+01 -0.166239D+01 -0.369620D+00 -0.124355D+01  0.101100D+01
      4  -0.538457D+01  0.517440D+01 -0.258532D+01  0.160989D+01 -0.473607D+01
      5   0.730926D+01 -0.110735D+02  0.178254D+02 -0.476694D+01  0.956062D+01
      6  -0.184697D+01  0.326206D+01 -0.248901D+01  0.134871D+01 -0.216427D+01
               136           137           138           139           140 
      1  -0.593329D+01 -0.471251D+01  0.240391D+02 -0.675726D+01 -0.730305D+01
      2  -0.114486D+01  0.133991D+01  0.210810D+01  0.465101D+01  0.126736D+01
      3   0.707815D+01  0.337259D+01 -0.261472D+02  0.210625D+01  0.603569D+01
      4  -0.358006D+01 -0.296978D+01  0.128503D+01  0.169935D+01 -0.506833D+00
      5   0.165304D+01 -0.899314D+00 -0.123023D+02 -0.515411D+01  0.559434D+01
      6  -0.243954D+01 -0.358894D+01  0.245411D+01  0.397000D-01 -0.276638D+01
               141           142           143           144           145 
      1   0.775420D+01  0.977680D+01  0.419220D+01 -0.414101D+02  0.960399D+01
      2   0.299410D+01 -0.295385D+01  0.168492D+01 -0.143134D+02 -0.298460D+01
      3  -0.107483D+02 -0.682295D+01 -0.587711D+01  0.557235D+02 -0.661939D+01
      4   0.760986D+01 -0.349453D+00  0.630753D+01 -0.740833D+01  0.657421D+01
      5  -0.114945D+02  0.502672D+01 -0.504145D+01  0.402713D+02  0.505425D+01
      6   0.929673D+01 -0.342220D+00  0.707358D+01 -0.742962D+01  0.211726D+01
               146           147           148           149           150 
      1   0.573230D+01  0.481067D+01  0.119046D+02 -0.461939D+01 -0.146280D+01
      2  -0.205992D+01 -0.641759D+00 -0.589358D+01  0.141869D+02 -0.288214D+01
      3  -0.367239D+01 -0.416891D+01 -0.601101D+01 -0.956754D+01  0.434494D+01
      4   0.729641D+01  0.744109D+00  0.156922D+02  0.515553D+02  0.941529D+01
      5   0.241968D+01 -0.415110D+00  0.117622D+02  0.963416D+01  0.138149D+02
      6   0.183773D+01  0.725786D-01  0.603599D+01  0.245892D+02  0.825187D+01
               151           152           153           154           155 
      1  -0.965548D+00 -0.165752D+01 -0.561885D+01  0.208972D+03  0.226007D+02
      2   0.142791D+01 -0.984971D+00  0.165779D+01 -0.100768D+03 -0.871095D+01
      3  -0.462358D+00  0.264249D+01  0.396106D+01 -0.108204D+03 -0.138898D+02
      4   0.412781D+00  0.710516D+00  0.476715D+01  0.230071D+02  0.364293D+02
      5  -0.656587D+00  0.477766D+01  0.700276D+00 -0.413028D+02 -0.506844D+01
      6   0.107415D+01  0.471793D+01  0.207440D+01 -0.495239D+01 -0.505440D+01
               156           157           158           159           160 
      1  -0.117147D+02  0.341804D+02  0.344155D+02 -0.308563D+01 -0.116715D+02
      2   0.108491D+02 -0.149688D+02 -0.130302D+02  0.285984D+01  0.103944D+02
      3   0.865552D+00 -0.192116D+02 -0.213852D+02  0.225792D+00  0.127713D+01
      4  -0.195904D+01  0.489517D+02  0.258127D+02 -0.403553D+01 -0.340283D+01
      5   0.404035D+02 -0.108281D+02 -0.872666D+01  0.104950D+02  0.372490D+02
      6  -0.249697D+00 -0.966732D+01 -0.494556D+01  0.519959D+01  0.232581D+01
               161           162           163           164           165 
      1  -0.183329D+01  0.199950D+02  0.616222D+02  0.504154D+01 -0.167485D+02
      2   0.147766D+01 -0.145359D+02 -0.437624D+02 -0.155198D+01  0.111716D+02
      3   0.355623D+00 -0.545906D+01 -0.178598D+02 -0.348957D+01  0.557698D+01
      4  -0.260951D+01  0.478347D+01 -0.221125D+01  0.769339D+01  0.440593D+01
      5   0.665483D+01 -0.796290D+01 -0.409371D+02  0.205982D+01  0.205123D+02
      6   0.469994D+01 -0.160270D+01  0.157172D+01 -0.163200D+01 -0.185686D+01
               166           167           168           169           170 
      1   0.157732D+02 -0.822088D+01 -0.378839D+01  0.806321D+01 -0.295355D+01
      2  -0.881544D+01  0.288346D+01  0.288346D+01 -0.194479D+01  0.379922D+00
      3  -0.695776D+01  0.533742D+01  0.904930D+00 -0.611842D+01  0.257363D+01
      4   0.428459D+01 -0.446483D+01 -0.117198D+02  0.570727D+01 -0.645691D+01
      5  -0.606545D+01 -0.112841D+02  0.198544D+00  0.144132D+02 -0.725514D+01
      6  -0.136357D+01  0.443518D+01  0.122637D+02 -0.380941D+01  0.120796D+02
               171           172           173           174           175 
      1  -0.365202D+02 -0.540607D+02 -0.624004D+01 -0.663911D+01 -0.100488D+02
      2  -0.103584D+02  0.352209D+02  0.269081D+01 -0.566737D+01  0.632532D+01
      3   0.468786D+02  0.188398D+02  0.354923D+01  0.123065D+02  0.372346D+01
      4  -0.899626D+01  0.274122D+01 -0.487067D+01 -0.376192D+01  0.932622D+00
      5  -0.442751D+02  0.307313D+02 -0.220942D+01 -0.176993D+02  0.349242D+01
      6   0.103026D+02 -0.726458D+00  0.443988D+01  0.486980D+01  0.250621D+00
               176           177           178           179           180 
      1  -0.653686D+01 -0.259305D+01  0.117984D+02 -0.784725D+00 -0.105738D+02
      2   0.416522D+01  0.692641D+00 -0.139854D+02  0.286187D+00  0.575019D+01
      3   0.237164D+01  0.190041D+01  0.218702D+01  0.498539D+00  0.482359D+01
      4  -0.264268D+01 -0.363066D+01 -0.254191D+01  0.718144D+00  0.924689D+00
      5  -0.267270D+01 -0.280206D+01 -0.148576D+02  0.465909D+00  0.385941D+01
      6   0.283573D+01  0.410274D+01  0.363176D+01  0.944578D+00  0.148856D+00
               181           182           183           184           185 
      1  -0.617798D+01 -0.487316D+02  0.294129D+01  0.101016D+03  0.199773D+02
      2   0.493458D+01  0.350940D+02 -0.680060D+00 -0.680744D+02 -0.188021D+02
      3   0.124340D+01  0.136376D+02 -0.226123D+01 -0.329414D+02 -0.117516D+01
      4  -0.130435D+02  0.436009D+02 -0.653762D+01  0.110511D+02 -0.355769D+02
      5  -0.562631D+01 -0.859774D+01  0.160739D+02  0.640600D+01  0.667382D+01
      6  -0.374196D+01 -0.321306D+01  0.805536D+01  0.610905D+01  0.268924D+01
               186           187           188           189           190 
      1   0.451107D+01 -0.154016D+02 -0.783370D+01  0.488831D+01  0.122291D+03
      2  -0.272105D+01  0.134537D+02  0.648822D+01 -0.893178D+01 -0.608862D+02
      3  -0.179002D+01  0.194798D+01  0.134547D+01  0.404346D+01 -0.614049D+02
      4   0.762061D+01 -0.178798D+01  0.109236D+02  0.183112D+02  0.493797D+01
      5   0.660410D+01  0.323932D+02  0.169909D+02 -0.263388D+01 -0.338832D+01
      6   0.310455D+01  0.170673D+02  0.803981D+01  0.271546D+01 -0.177696D+01
               191           192           193           194           195 
      1   0.227088D+02  0.444444D+01 -0.469436D+02 -0.162845D+02  0.119449D+01
      2  -0.116941D+02 -0.815463D+00  0.404908D+02  0.229242D+02 -0.297872D+01
      3  -0.110147D+02 -0.362898D+01  0.645278D+01 -0.663970D+01  0.178423D+01
      4   0.316750D+02 -0.281592D+01 -0.107945D+02  0.569122D+02 -0.755393D+01
      5  -0.256365D+01 -0.153307D+01  0.473718D+01 -0.635059D+01  0.682430D+00
      6  -0.215268D+01 -0.209234D+01 -0.675722D+01 -0.379422D+01 -0.245319D+01
               196           197           198           199           200 
      1   0.615425D+01  0.613406D+01  0.268583D+02 -0.118933D+03 -0.111970D+02
      2  -0.578469D+01 -0.537082D+01 -0.235525D+02  0.474325D+02  0.239868D+01
      3  -0.369561D+00 -0.763242D+00 -0.330581D+01  0.715006D+02  0.879831D+01
      4   0.781774D+01 -0.373049D+01 -0.167035D+01 -0.140912D+02 -0.300866D+02
      5   0.536502D+02  0.311724D+01  0.370769D+01 -0.203502D+01  0.671874D+01
      6  -0.218748D+01  0.281614D+01  0.163140D+01  0.655292D+01 -0.153406D-02
               201           202           203           204           205 
      1  -0.570697D+01 -0.753552D+02 -0.267545D+01 -0.647728D+01 -0.303701D+00
      2   0.261262D+01  0.457719D+02 -0.126083D+02  0.570360D+01 -0.229369D+01
      3   0.309435D+01  0.295832D+02  0.152837D+02  0.773685D+00  0.259739D+01
      4   0.492607D+01  0.249980D+00 -0.178995D+02 -0.173745D+01  0.147917D+01
      5   0.340497D+01 -0.215265D+01 -0.247270D+01 -0.768114D+01  0.205830D+01
      6   0.360087D+00 -0.107309D+01  0.629684D+01  0.396545D+01 -0.313882D+01
               206           207           208           209           210 
      1  -0.914610D-01 -0.201103D+02  0.577695D+01 -0.277922D+02 -0.236341D+00
      2   0.451974D+01  0.452299D+01 -0.605929D+01  0.143276D+02 -0.162228D+01
      3  -0.442828D+01  0.155873D+02  0.282339D+00  0.134646D+02  0.185862D+01
      4  -0.737980D+01 -0.231722D+02 -0.252768D+02  0.937520D+01  0.471705D+00
      5  -0.253553D+02  0.369557D+01  0.398718D+01  0.106170D+01  0.300260D+02
      6   0.167406D+02 -0.131718D+01  0.502661D+00  0.206258D+01  0.269615D+01
               211           212           213           214           215 
      1   0.125130D+02  0.146910D+02 -0.208645D+01 -0.214485D+01 -0.314531D+01
      2  -0.124284D+02 -0.458706D+01  0.168592D+01 -0.666490D-01  0.253665D+01
      3  -0.846419D-01 -0.101039D+02  0.400531D+00  0.221150D+01  0.608655D+00
      4   0.422375D+02 -0.199872D+02  0.468937D+01 -0.477726D+01  0.103186D+01
      5  -0.502703D+01  0.275170D+01  0.722135D+01  0.898637D+01 -0.660124D+01
      6   0.211369D+01 -0.343129D+00  0.764657D+01 -0.402547D+01  0.473459D+01
               216           217           218           219           220 
      1  -0.118614D+01 -0.344394D+02  0.537872D+02 -0.544595D+01  0.397407D+02
      2   0.444778D+00  0.204469D+02 -0.274998D+02  0.313913D+01 -0.161974D+02
      3   0.741357D+00  0.139925D+02 -0.262873D+02  0.230681D+01 -0.235433D+02
      4  -0.756138D+01  0.529557D+02 -0.722628D+01  0.793071D+01 -0.470000D+02
      5   0.364569D+01 -0.628656D+01  0.823266D+01 -0.185790D+02  0.114991D+02
      6  -0.167975D+01  0.313055D+01 -0.234105D+00 -0.278828D+01 -0.349461D+01
               221           222           223           224           225 
      1  -0.199669D+02  0.149244D+02 -0.725034D+00  0.130274D+02 -0.143819D+02
      2   0.115287D+02 -0.654744D+01 -0.985099D+00 -0.634628D+01  0.855012D+01
      3   0.843815D+01 -0.837692D+01  0.171013D+01 -0.668115D+01  0.583182D+01
      4  -0.211970D+02 -0.139798D+02  0.108315D+02 -0.892996D+01 -0.504562D+02
      5  -0.129439D+02 -0.743480D+02 -0.408781D+02 -0.519210D+02  0.149414D+02
      6  -0.401453D+01 -0.141731D+02 -0.126285D+02 -0.106815D+02 -0.132505D+01
               226           227           228           229           230 
      1  -0.407948D+01  0.128718D+02 -0.188133D+01  0.154107D+01 -0.524698D+02
      2   0.559452D+01 -0.115716D+02  0.131338D+01 -0.373293D-01  0.665210D+02
      3  -0.151505D+01 -0.130020D+01  0.567948D+00 -0.150375D+01 -0.140512D+02
      4   0.306022D+01  0.541059D+01 -0.872763D-01  0.456624D+01  0.276491D+02
      5  -0.638404D+00  0.929409D-01  0.105527D+01 -0.409013D+00 -0.539881D+01
      6  -0.104318D+01  0.190603D+01 -0.129738D+01 -0.368422D+00 -0.101017D+02
               231           232           233           234           235 
      1   0.577911D+01 -0.626352D+00  0.663488D+01 -0.295972D+01  0.495704D+02
      2  -0.555830D+01  0.334626D+00 -0.713172D+01  0.315976D+01 -0.185365D+02
      3  -0.220815D+00  0.291726D+00  0.496849D+00 -0.200034D+00 -0.310340D+02
      4  -0.319232D+01  0.329372D-01 -0.297315D+01 -0.718015D+00  0.378708D+02
      5   0.305700D+01  0.152117D+01 -0.708288D-02 -0.116540D+00 -0.668330D+00
      6   0.794633D+01 -0.473921D-01  0.424422D+01 -0.179287D+01  0.153773D+00
               236           237           238           239           240 
      1   0.160158D+02  0.171977D+01  0.215210D+02  0.111648D+02 -0.344453D+00
      2  -0.138795D+01 -0.876106D+00  0.735718D+00  0.774949D+01  0.284043D+00
      3  -0.146279D+02 -0.843668D+00 -0.222567D+02 -0.189143D+02  0.604102D-01
      4   0.277704D+02 -0.530914D-01  0.410951D+02  0.393815D+02 -0.737827D+00
      5  -0.149667D+01  0.392258D+01 -0.336889D+01 -0.273610D+01  0.504516D+01
      6  -0.272899D+00  0.200247D+01 -0.141737D+01 -0.939261D+00  0.369668D+01
               241           242           243           244           245 
      1   0.212077D+01 -0.185997D+00 -0.113276D+01 -0.212730D+01 -0.538652D+01
      2  -0.203752D+01 -0.458605D+00  0.100975D+01  0.567904D+01 -0.179543D+01
      3  -0.832452D-01  0.644602D+00  0.123005D+00 -0.355174D+01  0.718195D+01
      4  -0.156052D+01 -0.168484D+01  0.206871D+01 -0.160708D+02  0.181596D+02
      5  -0.158098D+01  0.156193D+01 -0.738827D+00  0.120986D+01 -0.187104D+01
      6  -0.647446D+00  0.158113D+01 -0.511276D+00 -0.104378D+01  0.133924D+01
               246           247           248           249           250 
      1   0.227726D+00 -0.118150D+01 -0.214392D+02  0.251895D+01 -0.295360D+00
      2   0.213429D+00 -0.929321D+01  0.380896D+02 -0.322463D+01  0.848974D+00
      3  -0.441155D+00  0.104747D+02 -0.166504D+02  0.705684D+00 -0.553614D+00
      4  -0.264007D+01  0.254758D+02 -0.537607D+02  0.622811D+01 -0.350742D+01
      5   0.244509D+01 -0.213216D+01  0.367158D+01 -0.593583D+01  0.245000D+01
      6  -0.141003D+01  0.195117D+01 -0.536774D+01  0.684818D+01 -0.253274D+01
               251           252           253           254           255 
      1   0.171560D+01 -0.176986D+01  0.195434D+02  0.489014D+01 -0.170527D+02
      2  -0.327030D+01  0.301063D+01 -0.105272D+02 -0.218673D+01  0.846215D+01
      3   0.155470D+01 -0.124078D+01 -0.901620D+01 -0.270340D+01  0.859050D+01
      4   0.678272D+01 -0.242542D+01  0.630571D+01  0.471060D+01 -0.739220D+01
      5  -0.111753D+01  0.115292D+01 -0.206717D+02 -0.713000D+01  0.873567D+01
      6   0.366749D+01 -0.180786D+01 -0.292204D+01 -0.955581D+00  0.360598D+00
               256           257           258           259           260 
      1   0.235358D+02  0.127970D+02 -0.109447D+02 -0.572472D+02 -0.118818D+02
      2  -0.117434D+02 -0.447816D+01  0.465905D+01  0.330838D+02  0.612535D+01
      3  -0.117924D+02 -0.831884D+01  0.628560D+01  0.241634D+02  0.575647D+01
      4   0.288596D+02  0.252072D+02 -0.183850D+02 -0.230590D+02 -0.212210D+02
      5  -0.205331D+02 -0.191825D+02  0.311428D+02  0.490409D+02  0.290873D+02
      6  -0.420981D+01 -0.461585D+01  0.784381D+01  0.826325D+01  0.732335D+01
               261           262           263           264           265 
      1   0.197400D+02  0.414606D+01  0.520186D+01  0.137228D+02  0.263356D+02
      2  -0.169941D+02 -0.269830D+01 -0.248393D+01 -0.634842D+01 -0.135610D+02
      3  -0.274589D+01 -0.144777D+01 -0.271793D+01 -0.737440D+01 -0.127746D+02
      4   0.275986D+02  0.496012D+01  0.292087D+01  0.352954D+01  0.331707D+02
      5  -0.633618D+02  0.137704D+02  0.318028D+01  0.239149D+01  0.217063D+02
      6  -0.842616D+01  0.242302D+01  0.151635D+00 -0.482744D+00  0.783032D+01
               266           267           268           269           270 
      1   0.976846D+01  0.578855D+01  0.386506D+02  0.453493D+01  0.101924D+02
      2  -0.210656D+01 -0.346751D+01 -0.229064D+02 -0.362537D+01 -0.133538D+02
      3  -0.766190D+01 -0.232104D+01 -0.157441D+02 -0.909559D+00  0.316142D+01
      4   0.391601D+02  0.286026D+02  0.202604D+02  0.267892D+02  0.321087D+02
      5   0.280683D+02  0.373304D+02  0.400891D+02  0.325445D+02  0.499322D+02
      6   0.105567D+02  0.113860D+02  0.959799D+01  0.105681D+02  0.118969D+02
               271           272           273           274           275 
      1   0.171964D+03 -0.400086D+02  0.143123D+02 -0.809993D+02  0.302110D+02
      2  -0.884451D+02  0.200346D+02 -0.826960D+01  0.403415D+02 -0.135721D+02
      3  -0.835186D+02  0.199739D+02 -0.604273D+01  0.406578D+02 -0.166389D+02
      4  -0.485605D+02  0.233289D+02 -0.446337D+01  0.409314D+02 -0.287561D+02
      5   0.178169D+02 -0.431912D+01  0.175221D+02 -0.858635D+01  0.514768D+01
      6  -0.191042D+01  0.101155D+01 -0.936723D+00  0.193267D+01 -0.128888D+01
               276           277           278           279 
      1  -0.704548D+01  0.181362D+02 -0.466058D+01  0.176805D+02
      2   0.399823D+01 -0.107633D+02  0.270731D+01 -0.103678D+02
      3   0.304725D+01 -0.737294D+01  0.195326D+01 -0.731270D+01
      4   0.535626D+01 -0.560078D+01  0.453381D+01 -0.201974D+01
      5  -0.690110D+01  0.261315D+02 -0.177575D+01  0.556174D+01
      6   0.243053D+01 -0.186375D+01  0.290025D+01 -0.604904D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:41:36 2021, MaxMem=  5368709120 cpu:           26168.6 elap:            3279.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18845 -19.18603 -19.13078 -10.32129 -10.26442
 Alpha  occ. eigenvalues --  -10.25567 -10.22081 -10.21407 -10.21281 -10.20962
 Alpha  occ. eigenvalues --  -10.20900 -10.20733 -10.20718 -10.20436 -10.20365
 Alpha  occ. eigenvalues --  -10.19580 -10.18667  -1.09697  -1.07406  -1.01647
 Alpha  occ. eigenvalues --   -0.89020  -0.84724  -0.80227  -0.78657  -0.74705
 Alpha  occ. eigenvalues --   -0.74504  -0.70101  -0.66167  -0.64490  -0.62119
 Alpha  occ. eigenvalues --   -0.61529  -0.60243  -0.55278  -0.54130  -0.53404
 Alpha  occ. eigenvalues --   -0.50549  -0.48809  -0.48603  -0.48408  -0.46337
 Alpha  occ. eigenvalues --   -0.45970  -0.45149  -0.43830  -0.43194  -0.42922
 Alpha  occ. eigenvalues --   -0.42202  -0.41588  -0.40790  -0.40132  -0.37823
 Alpha  occ. eigenvalues --   -0.37222  -0.36834  -0.36347  -0.35501  -0.34313
 Alpha  occ. eigenvalues --   -0.32990  -0.32510  -0.30460  -0.28092  -0.25667
 Alpha  occ. eigenvalues --   -0.22634
 Alpha virt. eigenvalues --   -0.06366  -0.03100  -0.00964  -0.00232   0.00674
 Alpha virt. eigenvalues --    0.01307   0.02555   0.03532   0.03758   0.04347
 Alpha virt. eigenvalues --    0.05067   0.06011   0.06255   0.06834   0.06988
 Alpha virt. eigenvalues --    0.07894   0.08984   0.09608   0.09821   0.10164
 Alpha virt. eigenvalues --    0.10943   0.11453   0.11629   0.11804   0.12212
 Alpha virt. eigenvalues --    0.12785   0.13582   0.13858   0.14670   0.14797
 Alpha virt. eigenvalues --    0.15357   0.15686   0.16598   0.17033   0.17487
 Alpha virt. eigenvalues --    0.17855   0.18202   0.18718   0.19066   0.19709
 Alpha virt. eigenvalues --    0.19894   0.20751   0.20915   0.21427   0.21835
 Alpha virt. eigenvalues --    0.22544   0.22905   0.23750   0.23866   0.24075
 Alpha virt. eigenvalues --    0.24801   0.25160   0.25367   0.26109   0.26283
 Alpha virt. eigenvalues --    0.26651   0.27119   0.27873   0.28331   0.28727
 Alpha virt. eigenvalues --    0.29061   0.29482   0.29788   0.30251   0.30751
 Alpha virt. eigenvalues --    0.30896   0.31435   0.31577   0.32025   0.32365
 Alpha virt. eigenvalues --    0.32609   0.33103   0.33564   0.33845   0.34428
 Alpha virt. eigenvalues --    0.34918   0.35123   0.35252   0.35645   0.35867
 Alpha virt. eigenvalues --    0.36103   0.36244   0.36905   0.37093   0.37372
 Alpha virt. eigenvalues --    0.37571   0.37648   0.38160   0.38691   0.38938
 Alpha virt. eigenvalues --    0.39304   0.39578   0.39897   0.40144   0.41006
 Alpha virt. eigenvalues --    0.41260   0.41874   0.42029   0.42665   0.42860
 Alpha virt. eigenvalues --    0.43026   0.43221   0.43790   0.44364   0.44658
 Alpha virt. eigenvalues --    0.45174   0.45316   0.45798   0.45930   0.46566
 Alpha virt. eigenvalues --    0.47157   0.47682   0.48070   0.48263   0.48797
 Alpha virt. eigenvalues --    0.49504   0.49774   0.50228   0.50531   0.50989
 Alpha virt. eigenvalues --    0.51233   0.51616   0.51712   0.52174   0.52294
 Alpha virt. eigenvalues --    0.52913   0.53408   0.54237   0.54784   0.55028
 Alpha virt. eigenvalues --    0.55405   0.55581   0.56086   0.57062   0.57699
 Alpha virt. eigenvalues --    0.57859   0.58136   0.59434   0.59616   0.60374
 Alpha virt. eigenvalues --    0.60516   0.60808   0.61265   0.61563   0.62697
 Alpha virt. eigenvalues --    0.63310   0.63820   0.64428   0.65127   0.65727
 Alpha virt. eigenvalues --    0.65953   0.66765   0.67347   0.67674   0.67864
 Alpha virt. eigenvalues --    0.68259   0.68983   0.69356   0.69769   0.70630
 Alpha virt. eigenvalues --    0.70961   0.71405   0.71615   0.72609   0.72698
 Alpha virt. eigenvalues --    0.73271   0.73788   0.73989   0.75119   0.75638
 Alpha virt. eigenvalues --    0.76338   0.77171   0.77799   0.78484   0.79113
 Alpha virt. eigenvalues --    0.79871   0.81543   0.81983   0.82945   0.83787
 Alpha virt. eigenvalues --    0.84582   0.85259   0.85706   0.86402   0.87170
 Alpha virt. eigenvalues --    0.88376   0.88669   0.89309   0.90140   0.90620
 Alpha virt. eigenvalues --    0.91649   0.92064   0.92455   0.93905   0.95499
 Alpha virt. eigenvalues --    0.95722   0.97257   0.97321   0.98252   0.98927
 Alpha virt. eigenvalues --    0.99297   1.00167   1.01071   1.01256   1.01753
 Alpha virt. eigenvalues --    1.02372   1.02763   1.03388   1.03748   1.04666
 Alpha virt. eigenvalues --    1.05545   1.05749   1.07321   1.07829   1.09651
 Alpha virt. eigenvalues --    1.09990   1.11266   1.13041   1.13830   1.14755
 Alpha virt. eigenvalues --    1.15858   1.16761   1.17390   1.17971   1.18639
 Alpha virt. eigenvalues --    1.19169   1.20120   1.22361   1.22761   1.23331
 Alpha virt. eigenvalues --    1.24758   1.26104   1.26151   1.27412   1.28729
 Alpha virt. eigenvalues --    1.28987   1.30286   1.31085   1.31173   1.32344
 Alpha virt. eigenvalues --    1.32864   1.35318   1.35465   1.37232   1.38290
 Alpha virt. eigenvalues --    1.39002   1.40708   1.40896   1.43415   1.45803
 Alpha virt. eigenvalues --    1.46273   1.47262   1.47804   1.48875   1.50410
 Alpha virt. eigenvalues --    1.50752   1.51448   1.52892   1.54600   1.56597
 Alpha virt. eigenvalues --    1.57621   1.59030   1.59495   1.60183   1.60948
 Alpha virt. eigenvalues --    1.61832   1.62632   1.62980   1.64619   1.65615
 Alpha virt. eigenvalues --    1.66279   1.67181   1.68546   1.70289   1.71947
 Alpha virt. eigenvalues --    1.72257   1.73771   1.74252   1.75730   1.76065
 Alpha virt. eigenvalues --    1.76763   1.77554   1.78370   1.80425   1.80987
 Alpha virt. eigenvalues --    1.82937   1.83610   1.84949   1.86995   1.87066
 Alpha virt. eigenvalues --    1.87691   1.88614   1.89164   1.90181   1.91223
 Alpha virt. eigenvalues --    1.91293   1.92606   1.92917   1.94588   1.95946
 Alpha virt. eigenvalues --    1.97834   1.98175   1.98695   2.00258   2.01446
 Alpha virt. eigenvalues --    2.02026   2.03014   2.03771   2.03935   2.06067
 Alpha virt. eigenvalues --    2.06202   2.07171   2.07716   2.09465   2.09742
 Alpha virt. eigenvalues --    2.11104   2.11819   2.12727   2.13983   2.14826
 Alpha virt. eigenvalues --    2.15247   2.16875   2.19340   2.20051   2.21574
 Alpha virt. eigenvalues --    2.23457   2.25694   2.26153   2.27307   2.28618
 Alpha virt. eigenvalues --    2.28767   2.30914   2.32158   2.33082   2.34039
 Alpha virt. eigenvalues --    2.35229   2.37538   2.38415   2.39843   2.41626
 Alpha virt. eigenvalues --    2.42945   2.43097   2.45826   2.46434   2.46825
 Alpha virt. eigenvalues --    2.48090   2.50033   2.52402   2.53391   2.54251
 Alpha virt. eigenvalues --    2.55064   2.55572   2.57116   2.58809   2.59870
 Alpha virt. eigenvalues --    2.63822   2.65984   2.66986   2.70331   2.71801
 Alpha virt. eigenvalues --    2.76996   2.78860   2.80685   2.85688   2.86170
 Alpha virt. eigenvalues --    2.87451   2.90925   2.91432   2.92600   2.92729
 Alpha virt. eigenvalues --    2.93886   2.94851   2.95627   2.97516   2.99171
 Alpha virt. eigenvalues --    3.00130   3.02254   3.04181   3.07167   3.08278
 Alpha virt. eigenvalues --    3.09266   3.10213   3.11493   3.13250   3.14869
 Alpha virt. eigenvalues --    3.15792   3.18453   3.19545   3.21598   3.25845
 Alpha virt. eigenvalues --    3.27038   3.29880   3.45931   3.47681   3.56222
 Alpha virt. eigenvalues --    3.59589   3.64290   3.79104   3.83587   3.98418
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.446568  -1.368687  -1.645334   0.358171  -0.257082  -0.198496
     2  C   -1.368687  12.844488   0.172687  -0.999867   0.513728  -1.593445
     3  C   -1.645334   0.172687  11.216830  -1.410916  -0.186687  -0.199367
     4  C    0.358171  -0.999867  -1.410916  14.302546  -2.211766   0.550162
     5  C   -0.257082   0.513728  -0.186687  -2.211766  10.088042  -0.648285
     6  C   -0.198496  -1.593445  -0.199367   0.550162  -0.648285   9.327672
     7  C   -1.187860  -0.775169  -0.572066   0.101938   0.091775   0.227174
     8  H   -0.921128   0.207063  -0.099447  -2.248439   0.190276   0.175388
     9  H    0.224065  -0.049553  -0.028779  -1.430202   0.241380  -0.726908
    10  H    0.091813  -1.112406   0.178226   0.049561  -0.926560  -0.176967
    11  C   -0.013455   0.045107  -0.844506   0.151437  -0.675160  -0.012600
    12  C    0.003941   0.005677  -0.008885   0.012795  -0.042760  -0.001712
    13  C    0.003065  -0.000337  -0.194937   0.367899  -0.253005  -0.008420
    14  H   -0.018077  -0.015791  -0.202858  -0.182303   0.133502   0.018656
    15  H   -0.000192  -0.000092  -0.030227   0.002628  -0.014820  -0.000739
    16  H   -0.000860   0.001657   0.073136  -0.071874   0.021069  -0.001230
    17  H    0.001797   0.002199   0.005889  -0.043783  -0.007274   0.005585
    18  O   -0.000054  -0.000370   0.042716  -0.051183   0.059757  -0.003265
    19  O   -0.004634  -0.002303   0.018538  -0.035798   0.011349   0.007816
    20  H   -0.000470  -0.004143  -0.003701  -0.019782  -0.007831   0.001357
    21  C    0.475330  -0.600552   0.113829  -0.044702   0.015772   0.017622
    22  C   -0.571985   0.130999   0.021180   0.018520   0.005070   0.187158
    23  C   -0.670321  -0.865801   0.063165   0.155228  -0.015002  -1.037664
    24  O    0.009946   0.077249  -0.000610  -0.002843  -0.001461  -0.010428
    25  C   -0.000188  -0.001672  -0.000859  -0.000100  -0.000003   0.000652
    26  H   -0.126380   0.023699  -0.240266   0.034106  -0.009493  -0.031251
    27  H    0.003024   0.165590   0.021477   0.002148  -0.000914  -0.001092
    28  H    0.016859  -0.101804  -0.005754  -0.019664   0.026412   0.015247
    29  H    0.000998  -0.002117  -0.000095  -0.000003   0.000008  -0.000187
    30  H    0.001036  -0.002091  -0.000133  -0.000004   0.000007  -0.000199
    31  H   -0.001707  -0.000137   0.000045   0.000000  -0.000004   0.000091
               7          8          9         10         11         12
     1  C   -1.187860  -0.921128   0.224065   0.091813  -0.013455   0.003941
     2  C   -0.775169   0.207063  -0.049553  -1.112406   0.045107   0.005677
     3  C   -0.572066  -0.099447  -0.028779   0.178226  -0.844506  -0.008885
     4  C    0.101938  -2.248439  -1.430202   0.049561   0.151437   0.012795
     5  C    0.091775   0.190276   0.241380  -0.926560  -0.675160  -0.042760
     6  C    0.227174   0.175388  -0.726908  -0.176967  -0.012600  -0.001712
     7  C    9.438487  -0.280679  -0.007029   0.004695  -0.009526  -0.000438
     8  H   -0.280679   4.028398   0.049437  -0.023149  -0.431477  -0.037815
     9  H   -0.007029   0.049437   3.910426  -0.886096  -0.353108  -0.015333
    10  H    0.004695  -0.023149  -0.886096   3.753896  -0.003030   0.001283
    11  C   -0.009526  -0.431477  -0.353108  -0.003030   7.772138   0.347171
    12  C   -0.000438  -0.037815  -0.015333   0.001283   0.347171   4.077649
    13  C    0.002174  -0.099110  -0.026729   0.003654  -0.329767   0.082217
    14  H    0.004390   0.000966   0.027606  -0.000553   0.078354  -0.195616
    15  H    0.000002  -0.007928  -0.000371  -0.000019   0.253380   0.138937
    16  H   -0.000696   0.026953  -0.011923   0.000377   0.176779   0.124448
    17  H    0.000196   0.001262   0.011642   0.001425   0.078098   0.200238
    18  O   -0.000183   0.011427   0.007597  -0.000648  -0.029832  -0.008967
    19  O   -0.001770   0.004702  -0.000097   0.002441   0.062953   0.004716
    20  H    0.000890   0.006517  -0.009851   0.000632  -0.055392   0.002059
    21  C   -0.283710   0.071476   0.000035  -0.014315  -0.001274   0.000037
    22  C    0.654152  -0.015160  -0.001919   0.039825  -0.000387  -0.000016
    23  C   -0.479028  -0.000055   0.013600  -0.349865  -0.002067  -0.000011
    24  O   -0.004900  -0.000037   0.000087   0.000230   0.000021   0.000003
    25  C    0.038710  -0.000102  -0.000003   0.000069  -0.000001   0.000000
    26  H   -0.531698  -0.192588   0.000371   0.000879  -0.000132  -0.000175
    27  H   -0.520709   0.001547   0.000006   0.000178  -0.000024   0.000001
    28  H    0.051247   0.001954  -0.002331  -0.073873  -0.000366   0.000026
    29  H    0.002929  -0.000005  -0.000000  -0.000009  -0.000000   0.000000
    30  H    0.003747  -0.000006   0.000000  -0.000010   0.000000  -0.000000
    31  H   -0.003395   0.000000   0.000000   0.000001  -0.000000   0.000000
              13         14         15         16         17         18
     1  C    0.003065  -0.018077  -0.000192  -0.000860   0.001797  -0.000054
     2  C   -0.000337  -0.015791  -0.000092   0.001657   0.002199  -0.000370
     3  C   -0.194937  -0.202858  -0.030227   0.073136   0.005889   0.042716
     4  C    0.367899  -0.182303   0.002628  -0.071874  -0.043783  -0.051183
     5  C   -0.253005   0.133502  -0.014820   0.021069  -0.007274   0.059757
     6  C   -0.008420   0.018656  -0.000739  -0.001230   0.005585  -0.003265
     7  C    0.002174   0.004390   0.000002  -0.000696   0.000196  -0.000183
     8  H   -0.099110   0.000966  -0.007928   0.026953   0.001262   0.011427
     9  H   -0.026729   0.027606  -0.000371  -0.011923   0.011642   0.007597
    10  H    0.003654  -0.000553  -0.000019   0.000377   0.001425  -0.000648
    11  C   -0.329767   0.078354   0.253380   0.176779   0.078098  -0.029832
    12  C    0.082217  -0.195616   0.138937   0.124448   0.200238  -0.008967
    13  C    6.030034  -0.195221  -0.065432  -0.027528   0.075380  -0.057111
    14  H   -0.195221   1.397073   0.040010  -0.025739  -0.010589  -0.000996
    15  H   -0.065432   0.040010   0.784692  -0.085701  -0.015850   0.004075
    16  H   -0.027528  -0.025739  -0.085701   0.851839   0.011402   0.014912
    17  H    0.075380  -0.010589  -0.015850   0.011402   0.819088  -0.008695
    18  O   -0.057111  -0.000996   0.004075   0.014912  -0.008695   8.449977
    19  O   -0.185684  -0.001607   0.007715   0.000106  -0.008508   0.081613
    20  H    0.137574   0.005212  -0.001014   0.000800  -0.000207  -0.019918
    21  C   -0.000188  -0.000159  -0.000001   0.000025  -0.000004   0.000015
    22  C    0.000287  -0.000118   0.000000  -0.000020  -0.000007  -0.000013
    23  C    0.000391  -0.000117  -0.000001   0.000009   0.000044  -0.000020
    24  O   -0.000006   0.000000   0.000000   0.000001   0.000000   0.000000
    25  C    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H    0.000044   0.001515  -0.000006  -0.000036   0.000012  -0.000002
    27  H    0.000003  -0.000004   0.000000  -0.000000   0.000000  -0.000000
    28  H    0.000106  -0.000007   0.000000   0.000004  -0.000000  -0.000004
    29  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    30  H    0.000000   0.000000   0.000000  -0.000000   0.000000  -0.000000
    31  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.004634  -0.000470   0.475330  -0.571985  -0.670321   0.009946
     2  C   -0.002303  -0.004143  -0.600552   0.130999  -0.865801   0.077249
     3  C    0.018538  -0.003701   0.113829   0.021180   0.063165  -0.000610
     4  C   -0.035798  -0.019782  -0.044702   0.018520   0.155228  -0.002843
     5  C    0.011349  -0.007831   0.015772   0.005070  -0.015002  -0.001461
     6  C    0.007816   0.001357   0.017622   0.187158  -1.037664  -0.010428
     7  C   -0.001770   0.000890  -0.283710   0.654152  -0.479028  -0.004900
     8  H    0.004702   0.006517   0.071476  -0.015160  -0.000055  -0.000037
     9  H   -0.000097  -0.009851   0.000035  -0.001919   0.013600   0.000087
    10  H    0.002441   0.000632  -0.014315   0.039825  -0.349865   0.000230
    11  C    0.062953  -0.055392  -0.001274  -0.000387  -0.002067   0.000021
    12  C    0.004716   0.002059   0.000037  -0.000016  -0.000011   0.000003
    13  C   -0.185684   0.137574  -0.000188   0.000287   0.000391  -0.000006
    14  H   -0.001607   0.005212  -0.000159  -0.000118  -0.000117   0.000000
    15  H    0.007715  -0.001014  -0.000001   0.000000  -0.000001   0.000000
    16  H    0.000106   0.000800   0.000025  -0.000020   0.000009   0.000001
    17  H   -0.008508  -0.000207  -0.000004  -0.000007   0.000044   0.000000
    18  O    0.081613  -0.019918   0.000015  -0.000013  -0.000020   0.000000
    19  O    8.248030   0.159827   0.000076   0.000034  -0.000469   0.000004
    20  H    0.159827   0.566691  -0.000117   0.000035   0.000106  -0.000005
    21  C    0.000076  -0.000117   8.135709  -1.254363  -0.066532   0.116442
    22  C    0.000034   0.000035  -1.254363   8.457874  -0.672942  -0.049107
    23  C   -0.000469   0.000106  -0.066532  -0.672942  10.609952  -0.047342
    24  O    0.000004  -0.000005   0.116442  -0.049107  -0.047342   8.857538
    25  C   -0.000000  -0.000000  -0.053076   0.141066  -0.003512   0.144742
    26  H   -0.000488   0.000271  -0.689700   0.054760   0.053131   0.016539
    27  H    0.000003  -0.000002  -0.464087  -0.560974   0.063329  -0.302387
    28  H   -0.000048  -0.000014   0.116092  -0.790373  -0.617929   0.044269
    29  H   -0.000000  -0.000000   0.008311  -0.005673   0.002937   0.117107
    30  H   -0.000000   0.000000   0.006318  -0.007281   0.003753   0.119525
    31  H    0.000000  -0.000000   0.088667   0.021889   0.010723  -0.298211
              25         26         27         28         29         30
     1  C   -0.000188  -0.126380   0.003024   0.016859   0.000998   0.001036
     2  C   -0.001672   0.023699   0.165590  -0.101804  -0.002117  -0.002091
     3  C   -0.000859  -0.240266   0.021477  -0.005754  -0.000095  -0.000133
     4  C   -0.000100   0.034106   0.002148  -0.019664  -0.000003  -0.000004
     5  C   -0.000003  -0.009493  -0.000914   0.026412   0.000008   0.000007
     6  C    0.000652  -0.031251  -0.001092   0.015247  -0.000187  -0.000199
     7  C    0.038710  -0.531698  -0.520709   0.051247   0.002929   0.003747
     8  H   -0.000102  -0.192588   0.001547   0.001954  -0.000005  -0.000006
     9  H   -0.000003   0.000371   0.000006  -0.002331  -0.000000   0.000000
    10  H    0.000069   0.000879   0.000178  -0.073873  -0.000009  -0.000010
    11  C   -0.000001  -0.000132  -0.000024  -0.000366  -0.000000   0.000000
    12  C    0.000000  -0.000175   0.000001   0.000026   0.000000  -0.000000
    13  C    0.000000   0.000044   0.000003   0.000106   0.000000   0.000000
    14  H   -0.000000   0.001515  -0.000004  -0.000007  -0.000000   0.000000
    15  H    0.000000  -0.000006   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000  -0.000036  -0.000000   0.000004  -0.000000  -0.000000
    17  H    0.000000   0.000012   0.000000  -0.000000   0.000000   0.000000
    18  O   -0.000000  -0.000002  -0.000000  -0.000004  -0.000000  -0.000000
    19  O   -0.000000  -0.000488   0.000003  -0.000048  -0.000000  -0.000000
    20  H   -0.000000   0.000271  -0.000002  -0.000014  -0.000000   0.000000
    21  C   -0.053076  -0.689700  -0.464087   0.116092   0.008311   0.006318
    22  C    0.141066   0.054760  -0.560974  -0.790373  -0.005673  -0.007281
    23  C   -0.003512   0.053131   0.063329  -0.617929   0.002937   0.003753
    24  O    0.144742   0.016539  -0.302387   0.044269   0.117107   0.119525
    25  C    3.953908   0.004582  -0.107547  -0.018778   0.201478   0.201473
    26  H    0.004582   2.561427  -0.196605  -0.008363  -0.000195  -0.000157
    27  H   -0.107547  -0.196605   2.897383   0.012577  -0.045812  -0.045773
    28  H   -0.018778  -0.008363   0.012577   2.167537   0.001643   0.001771
    29  H    0.201478  -0.000195  -0.045812   0.001643   0.845680   0.015791
    30  H    0.201473  -0.000157  -0.045773   0.001771   0.015791   0.846398
    31  H    0.328937  -0.000323   0.096978  -0.000620  -0.271067  -0.271856
              31
     1  C   -0.001707
     2  C   -0.000137
     3  C    0.000045
     4  C    0.000000
     5  C   -0.000004
     6  C    0.000091
     7  C   -0.003395
     8  H    0.000000
     9  H    0.000000
    10  H    0.000001
    11  C   -0.000000
    12  C    0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H   -0.000000
    21  C    0.088667
    22  C    0.021889
    23  C    0.010723
    24  O   -0.298211
    25  C    0.328937
    26  H   -0.000323
    27  H    0.096978
    28  H   -0.000620
    29  H   -0.271067
    30  H   -0.271856
    31  H    2.070490
 Mulliken charges:
               1
     1  C   -0.649702
     2  C   -0.693809
     3  C   -0.252291
     4  C   -1.333908
     5  C   -0.140042
     6  C    0.117673
     7  C    0.036347
     8  H    0.579758
     9  H    0.063981
    10  H    0.438313
    11  C   -0.203332
    12  C    1.310530
    13  C    0.740643
    14  H    0.142469
    15  H   -0.009048
    16  H   -0.077909
    17  H   -0.119341
    18  O   -0.490827
    19  O   -0.368518
    20  H    0.240475
    21  C    0.307025
    22  C    0.197487
    23  C   -0.147691
    24  O   -0.786367
    25  C    1.170223
    26  H    0.276522
    27  H   -0.018313
    28  H    0.184182
    29  H    0.128281
    30  H    0.127689
    31  H   -0.770504
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.649702
     2  C   -0.693809
     3  C    0.327468
     4  C   -1.333908
     5  C   -0.076061
     6  C    0.555986
     7  C    0.312869
    11  C   -0.060862
    12  C    1.104232
    13  C    0.740643
    18  O   -0.490827
    19  O   -0.128042
    21  C    0.288712
    22  C    0.197487
    23  C    0.036491
    24  O   -0.786367
    25  C    0.655690
 Electronic spatial extent (au):  <R**2>=           5624.9335
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8975    Y=             -1.9968    Z=              1.8628  Tot=              6.4991
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -113.0146   YY=            -92.6892   ZZ=           -106.2986
   XY=              2.8965   XZ=             11.0355   YZ=             -0.5245
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.0138   YY=             11.3116   ZZ=             -2.2979
   XY=              2.8965   XZ=             11.0355   YZ=             -0.5245
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -268.5378  YYY=              1.5330  ZZZ=             -3.9843  XYY=              5.9336
  XXY=            -43.2816  XXZ=             45.1123  XZZ=             -7.9486  YZZ=             -1.4634
  YYZ=             -2.4942  XYZ=             -0.3975
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6519.3970 YYYY=           -609.3731 ZZZZ=           -496.7222 XXXY=             55.8025
 XXXZ=            239.8303 YYYX=             -8.4355 YYYZ=             -6.4077 ZZZX=             10.3157
 ZZZY=              1.8313 XXYY=          -1131.9512 XXZZ=          -1202.4402 YYZZ=           -199.6826
 XXYZ=              2.2450 YYXZ=             -6.4323 ZZXY=             -3.0869
 N-N= 1.131740499930D+03 E-N=-4.046155456188D+03  KE= 7.590790823270D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:41:37 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.0632   -6.0625        7.8263    7.8275
 2      6.0632    6.0625        1.9624    1.9613      -76.6389  -76.6415
 3     -7.8263   -7.8275      101.4060  101.4093       -1.9631   -1.9613
 4     -1.9624   -1.9613       -0.0000    0.0000       -7.8262   -7.8275
 5    -24.7671  -24.7678        7.8262    7.8275       -6.0644   -6.0625
 6      1.9631    1.9613        6.0644    6.0625        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       18.1875   18.1875       23.4825   23.4825
 2     -5.8838   -5.8838       -0.0000    0.0000       23.4825   23.4825
 3     -5.8838   -5.8838       18.1875   18.1875        0.0000    0.0000
 4     18.1875   18.1875        5.8838    5.8838     -229.9246 -229.9246
 5    -23.4825  -23.4825      304.2279  304.2279       -5.8838   -5.8838
 6    -74.3033  -74.3033       23.4825   23.4825      -18.1875  -18.1875
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0443    0.0000       24.6007   24.2500      -31.3248  -31.3100
 2    -24.3386  -24.2500       -7.7763   -7.8450      306.3835  306.5661
 3     31.2164   31.3100     -405.7279 -405.6373        7.9902    7.8450
 4      7.8395    7.8450        0.1230    0.0000       31.2909   31.3100
 5     99.1735   99.0711      -31.1940  -31.3100       24.1289   24.2500
 6     -8.0243   -7.8450      -24.3035  -24.2500       -0.1095    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0058    0.0000       17.1214   17.1156       23.5141   23.7402
 2    -17.0724  -17.1156       88.8924   89.1142      -39.1636  -39.2296
 3    -23.5815  -23.7402        4.5776    4.5042      -88.9475  -89.1142
 4    -89.0889  -89.1142        0.0001    0.0000      -23.6004  -23.7402
 5     34.9667   34.7254       23.8407   23.7402       17.2657   17.1156
 6     89.0672   89.1142      -17.0327  -17.1156        0.0486    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -71.1612  -71.2520       -3.8917   -3.9263      -16.7277  -16.7437
 2   -217.9324 -217.9243        7.6360    7.7069      -16.6990  -16.7437
 3   -217.8894 -217.9243       -3.9471   -3.9263      -44.2902  -44.4307
 4    -11.4475  -11.6332      146.8268  146.6722      -36.5060  -36.6919
 5    -27.7553  -27.6870      -28.3772  -28.5790     -146.8752 -146.6722
 6     65.7450   65.2709       27.9098   27.6870       11.8175   11.6332
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.9916                 0.6865                 4.4111
  Dep-P Fr= 1--      0.7491                 0.6826                 0.7498
  Dep-U Fr= 1--      0.8566                 0.8114                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0000
 Beta2  Fr= 1--      0.5699                 0.0928                 0.6301
 AlphaG Fr= 1--      0.0025                 0.0156                -0.0005
 Gamma2 Fr= 1--      0.5860                -0.5725                 0.7872
 Delta2 Fr= 1--      0.2027                -0.1890                -0.1116
 Raman1 Fr= 1--      15.966                  2.746                 17.644
 ROA1   Fr= 1--      62.740                -61.005                 72.004
 CID1   Fr= 1--       3.929                -22.217                  4.081
 Raman2 Fr= 1--       6.838                  1.114                  7.561
 ROA2   Fr= 1--      12.441                -12.227                 19.786
 CID2   Fr= 1--       1.819                -10.976                  2.617
 Raman3 Fr= 1--      13.677                  2.228                 15.121
 ROA3   Fr= 1--      62.740                -61.005                 72.004
 CID3   Fr= 1--       4.587                -27.382                  4.762
 RC180  Fr= 1--       0.713                  0.623                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9778                 0.6465                 1.5165
  Dep-P Fr= 1--      0.7288                 0.6829                 0.5437
  Dep-U Fr= 1--      0.8431                 0.8116                 0.7044
 Alpha2 Fr= 1--      0.0004                 0.0008                 0.0060
 Beta2  Fr= 1--      0.1374                 0.0874                 0.1780
 AlphaG Fr= 1--     -0.0096                 0.0083                 0.0170
 Gamma2 Fr= 1--     -0.2490                -0.8138                 2.4089
 Delta2 Fr= 1--      0.1687                -0.1117                 0.9783
 Raman1 Fr= 1--       3.911                  2.586                  6.066
 ROA1   Fr= 1--     -18.508                -81.697                262.559
 CID1   Fr= 1--      -4.732                -31.592                 43.284
 Raman2 Fr= 1--       1.649                  1.049                  2.137
 ROA2   Fr= 1--      -7.326                -18.637                 49.987
 CID2   Fr= 1--      -4.443                -17.760                 23.396
 Raman3 Fr= 1--       3.298                  2.099                  4.273
 ROA3   Fr= 1--     -18.508                -81.697                262.559
 CID3   Fr= 1--      -5.613                -38.926                 61.446
 RC180  Fr= 1--       0.686                  0.623                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.3681                 3.3693                 4.1015
  Dep-P Fr= 1--      0.6510                 0.3755                 0.2256
  Dep-U Fr= 1--      0.7886                 0.5460                 0.3682
 Alpha2 Fr= 1--      0.0007                 0.0272                 0.0520
 Beta2  Fr= 1--      0.0484                 0.3066                 0.2517
 AlphaG Fr= 1--      0.0035                -0.0010                 0.0190
 Gamma2 Fr= 1--     -0.7677                -1.0678                -1.0655
 Delta2 Fr= 1--      0.0653                -0.5666                -0.2344
 Raman1 Fr= 1--       1.472                 13.477                 16.406
 ROA1   Fr= 1--     -71.610               -120.640               -109.790
 CID1   Fr= 1--     -48.642                 -8.951                 -6.692
 Raman2 Fr= 1--       0.581                  3.679                  3.020
 ROA2   Fr= 1--     -18.947                -21.094                -23.697
 CID2   Fr= 1--     -32.637                 -5.734                 -7.846
 Raman3 Fr= 1--       1.161                  7.358                  6.041
 ROA3   Fr= 1--     -71.610               -120.640               -109.790
 CID3   Fr= 1--     -61.677                -16.396                -18.175
 RC180  Fr= 1--       0.577                  0.092                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.8183                 1.7109                 3.3730
  Dep-P Fr= 1--      0.3073                 0.4075                 0.4383
  Dep-U Fr= 1--      0.4701                 0.5790                 0.6095
 Alpha2 Fr= 1--      0.0182                 0.0123                 0.0217
 Beta2  Fr= 1--      0.1425                 0.1651                 0.3426
 AlphaG Fr= 1--      0.0069                 0.0008                -0.0904
 Gamma2 Fr= 1--      1.4286                -0.1105                -0.6221
 Delta2 Fr= 1--      0.0590                -0.1358                -0.4336
 Raman1 Fr= 1--       7.273                  6.844                 13.492
 ROA1   Fr= 1--     139.029                -14.957                -73.596
 CID1   Fr= 1--      19.115                 -2.185                 -5.455
 Raman2 Fr= 1--       1.710                  1.981                  4.111
 ROA2   Fr= 1--      33.814                 -1.567                -11.462
 CID2   Fr= 1--      19.780                 -0.791                 -2.788
 Raman3 Fr= 1--       3.419                  3.963                  8.223
 ROA3   Fr= 1--     139.029                -14.957                -73.596
 CID3   Fr= 1--      40.663                 -3.774                 -8.950
 RC180  Fr= 1--      -0.060                  0.158                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      7.0842                 6.3403                 1.6038
  Dep-P Fr= 1--      0.2527                 0.2300                 0.6440
  Dep-U Fr= 1--      0.4034                 0.3740                 0.7834
 Alpha2 Fr= 1--      0.0833                 0.0794                 0.0031
 Beta2  Fr= 1--      0.4763                 0.3952                 0.2094
 AlphaG Fr= 1--      0.1298                -0.0509                -0.0350
 Gamma2 Fr= 1--      0.1918                -0.8200                 1.8041
 Delta2 Fr= 1--      0.2279                 0.0084                 0.6789
 Raman1 Fr= 1--      28.337                 25.361                  6.415
 ROA1   Fr= 1--      25.706                -78.450                194.915
 CID1   Fr= 1--       0.907                 -3.093                 30.384
 Raman2 Fr= 1--       5.715                  4.742                  2.513
 ROA2   Fr= 1--       2.781                -19.746                 37.866
 CID2   Fr= 1--       0.487                 -4.164                 15.068
 Raman3 Fr= 1--      11.431                  9.485                  5.026
 ROA3   Fr= 1--      25.706                -78.450                194.915
 CID3   Fr= 1--       2.249                 -8.271                 38.782
 RC180  Fr= 1--      -0.193                 -0.252                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.4419                 0.7958                 0.0805
  Dep-P Fr= 1--      0.7442                 0.6827                 0.1224
  Dep-U Fr= 1--      0.8534                 0.8114                 0.2180
 Alpha2 Fr= 1--      0.0001                 0.0009                 0.0013
 Beta2  Fr= 1--      0.2051                 0.1076                 0.0029
 AlphaG Fr= 1--      0.0013                 0.0063                -0.0096
 Gamma2 Fr= 1--      0.3060                 0.5969                -0.0413
 Delta2 Fr= 1--      0.0013                 0.2568                -0.0531
 Raman1 Fr= 1--       5.768                  3.183                  0.322
 ROA1   Fr= 1--      29.418                 65.521                 -5.666
 CID1   Fr= 1--       5.100                 20.585                -17.601
 Raman2 Fr= 1--       2.461                  1.291                  0.035
 ROA2   Fr= 1--       7.334                 12.272                 -0.566
 CID2   Fr= 1--       2.980                  9.503                -16.139
 Raman3 Fr= 1--       4.922                  2.583                  0.070
 ROA3   Fr= 1--      29.418                 65.521                 -5.666
 CID3   Fr= 1--       5.977                 25.368                -80.724
 RC180  Fr= 1--       0.707                  0.623                 -0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.9803                 3.8283                24.4806
  Dep-P Fr= 1--      0.6990                 0.2447                 0.3514
  Dep-U Fr= 1--      0.8229                 0.3932                 0.5200
 Alpha2 Fr= 1--      0.0018                 0.0461                 0.2140
 Beta2  Fr= 1--      0.2716                 0.2509                 2.1217
 AlphaG Fr= 1--      0.0334                -0.2305                 0.1593
 Gamma2 Fr= 1--     -2.6951                 1.0825                 2.4956
 Delta2 Fr= 1--     -0.4732                -0.2796                 0.3595
 Raman1 Fr= 1--       7.921                 15.313                 97.923
 ROA1   Fr= 1--    -273.868                 94.969                251.080
 CID1   Fr= 1--     -34.573                  6.202                  2.564
 Raman2 Fr= 1--       3.259                  3.010                 25.461
 ROA2   Fr= 1--     -60.896                 28.216                 57.018
 CID2   Fr= 1--     -18.685                  9.373                  2.239
 Raman3 Fr= 1--       6.518                  6.020                 50.921
 ROA3   Fr= 1--    -273.868                 94.969                251.080
 CID3   Fr= 1--     -42.016                 15.774                  4.931
 RC180  Fr= 1--       0.646                 -0.214                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      5.6437                 3.1150                 3.7155
  Dep-P Fr= 1--      0.3175                 0.3928                 0.5272
  Dep-U Fr= 1--      0.4820                 0.5641                 0.6904
 Alpha2 Fr= 1--      0.0549                 0.0237                 0.0161
 Beta2  Fr= 1--      0.4534                 0.2928                 0.4275
 AlphaG Fr= 1--     -0.2131                 0.2140                -0.0877
 Gamma2 Fr= 1--     -2.1541                 0.3879                -0.4741
 Delta2 Fr= 1--     -0.2901                -0.1933                -0.2563
 Raman1 Fr= 1--      22.575                 12.460                 14.862
 ROA1   Fr= 1--    -216.080                 31.050                -53.716
 CID1   Fr= 1--      -9.572                  2.492                 -3.614
 Raman2 Fr= 1--       5.440                  3.514                  5.131
 ROA2   Fr= 1--     -49.379                 10.855                 -9.328
 CID2   Fr= 1--      -9.076                  3.089                 -1.818
 Raman3 Fr= 1--      10.881                  7.028                 10.261
 ROA3   Fr= 1--    -216.080                 31.050                -53.716
 CID3   Fr= 1--     -19.859                  4.418                 -5.235
 RC180  Fr= 1--      -0.036                  0.128                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.2360                 2.1296                 0.2955
  Dep-P Fr= 1--      0.7499                 0.1509                 0.1334
  Dep-U Fr= 1--      0.8571                 0.2622                 0.2354
 Alpha2 Fr= 1--      0.0000                 0.0328                 0.0048
 Beta2  Fr= 1--      0.1766                 0.0931                 0.0116
 AlphaG Fr= 1--      0.0005                 0.0716                -0.0491
 Gamma2 Fr= 1--      1.4180                -0.6375                 0.1052
 Delta2 Fr= 1--      0.0006                -0.2004                -0.0304
 Raman1 Fr= 1--       4.944                  8.518                  1.182
 ROA1   Fr= 1--     136.151                -67.613                  9.122
 CID1   Fr= 1--      27.538                 -7.937                  7.719
 Raman2 Fr= 1--       2.119                  1.117                  0.139
 ROA2   Fr= 1--      34.028                -13.696                  2.767
 CID2   Fr= 1--      16.061                -12.263                 19.892
 Raman3 Fr= 1--       4.237                  2.234                  0.278
 ROA3   Fr= 1--     136.151                -67.613                  9.122
 CID3   Fr= 1--      32.131                -30.270                 32.785
 RC180  Fr= 1--       0.714                 -0.476                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     42.8613                 6.1347                25.5609
  Dep-P Fr= 1--      0.0878                 0.1154                 0.0996
  Dep-U Fr= 1--      0.1614                 0.2070                 0.1811
 Alpha2 Fr= 1--      0.7731                 0.1034                 0.4480
 Beta2  Fr= 1--      1.1530                 0.2116                 0.7715
 AlphaG Fr= 1--     -0.4367                -0.0411                 0.4663
 Gamma2 Fr= 1--     -2.8626                 1.0793                 2.4678
 Delta2 Fr= 1--      0.2342                 0.9526                 0.0661
 Raman1 Fr= 1--     171.445                 24.539                102.244
 ROA1   Fr= 1--    -267.313                134.095                239.027
 CID1   Fr= 1--      -1.559                  5.465                  2.338
 Raman2 Fr= 1--      13.836                  2.539                  9.258
 ROA2   Fr= 1--     -70.576                 18.282                 58.699
 CID2   Fr= 1--      -5.101                  7.199                  6.340
 Raman3 Fr= 1--      27.671                  5.079                 18.517
 ROA3   Fr= 1--    -267.313                134.095                239.027
 CID3   Fr= 1--      -9.660                 26.403                 12.909
 RC180  Fr= 1--      -0.677                 -0.586                 -0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      6.3196                 0.7587                 1.6322
  Dep-P Fr= 1--      0.3553                 0.3891                 0.1633
  Dep-U Fr= 1--      0.5243                 0.5602                 0.2807
 Alpha2 Fr= 1--      0.0545                 0.0058                 0.0244
 Beta2  Fr= 1--      0.5522                 0.0708                 0.0764
 AlphaG Fr= 1--     -0.1395                 0.0123                -0.0153
 Gamma2 Fr= 1--     -0.4654                -0.8855                -0.1097
 Delta2 Fr= 1--     -0.2871                 0.0211                -0.1591
 Raman1 Fr= 1--      25.278                  3.035                  6.529
 ROA1   Fr= 1--     -53.867                -84.335                -15.621
 CID1   Fr= 1--      -2.131                -27.790                 -2.393
 Raman2 Fr= 1--       6.627                  0.850                  0.916
 ROA2   Fr= 1--      -8.873                -21.421                 -1.359
 CID2   Fr= 1--      -1.339                -25.200                 -1.483
 Raman3 Fr= 1--      13.254                  1.700                  1.833
 ROA3   Fr= 1--     -53.867                -84.335                -15.621
 CID3   Fr= 1--      -4.064                -49.606                 -8.523
 RC180  Fr= 1--       0.049                  0.120                 -0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     28.0658                 1.9831                 0.5688
  Dep-P Fr= 1--      0.0973                 0.7341                 0.4555
  Dep-U Fr= 1--      0.1773                 0.8467                 0.6259
 Alpha2 Fr= 1--      0.4946                 0.0005                 0.0034
 Beta2  Fr= 1--      0.8295                 0.2798                 0.0593
 AlphaG Fr= 1--      0.0564                -0.0066                -0.0048
 Gamma2 Fr= 1--      2.1296                -0.0711                 0.0472
 Delta2 Fr= 1--     -0.7547                 0.2250                 0.1480
 Raman1 Fr= 1--     112.263                  7.932                  2.275
 ROA1   Fr= 1--     180.288                  0.378                  9.267
 CID1   Fr= 1--       1.606                  0.048                  4.073
 Raman2 Fr= 1--       9.954                  3.358                  0.712
 ROA2   Fr= 1--      57.147                 -3.506                 -0.052
 CID2   Fr= 1--       5.741                 -1.044                 -0.073
 Raman3 Fr= 1--      19.908                  6.716                  1.424
 ROA3   Fr= 1--     180.288                  0.378                  9.267
 CID3   Fr= 1--       9.056                  0.056                  6.507
 RC180  Fr= 1--      -0.645                  0.693                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      6.7549                 0.9847                10.0136
  Dep-P Fr= 1--      0.2820                 0.6215                 0.1936
  Dep-U Fr= 1--      0.4400                 0.7666                 0.3244
 Alpha2 Fr= 1--      0.0731                 0.0023                 0.1383
 Beta2  Fr= 1--      0.4953                 0.1258                 0.5413
 AlphaG Fr= 1--     -0.0426                 0.0148                -0.3811
 Gamma2 Fr= 1--     -4.5397                 0.0994                -5.0830
 Delta2 Fr= 1--      0.4831                -0.2191                -0.5546
 Raman1 Fr= 1--      27.020                  3.939                 40.054
 ROA1   Fr= 1--    -420.356                  2.531               -505.717
 CID1   Fr= 1--     -15.557                  0.642                -12.626
 Raman2 Fr= 1--       5.944                  1.510                  6.496
 ROA2   Fr= 1--    -112.819                  4.139               -117.556
 CID2   Fr= 1--     -18.980                  2.741                -18.096
 Raman3 Fr= 1--      11.888                  3.020                 12.992
 ROA3   Fr= 1--    -420.356                  2.531               -505.717
 CID3   Fr= 1--     -35.359                  0.838                -38.924
 RC180  Fr= 1--      -0.120                  0.533                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     17.0345                 4.5978                 4.2701
  Dep-P Fr= 1--      0.1649                 0.2518                 0.1170
  Dep-U Fr= 1--      0.2831                 0.4023                 0.2096
 Alpha2 Fr= 1--      0.2535                 0.0542                 0.0717
 Beta2  Fr= 1--      0.8039                 0.3083                 0.1491
 AlphaG Fr= 1--      0.3432                 0.0257                -0.0010
 Gamma2 Fr= 1--      5.0832                 0.3529                 0.1012
 Delta2 Fr= 1--      1.2109                -0.7647                 0.0451
 Raman1 Fr= 1--      68.138                 18.391                 17.081
 ROA1   Fr= 1--     526.737                  9.406                 11.154
 CID1   Fr= 1--       7.730                  0.511                  0.653
 Raman2 Fr= 1--       9.646                  3.700                  1.790
 ROA2   Fr= 1--     112.309                 14.586                  2.067
 CID2   Fr= 1--      11.643                  3.943                  1.155
 Raman3 Fr= 1--      19.293                  7.399                  3.579
 ROA3   Fr= 1--     526.737                  9.406                 11.154
 CID3   Fr= 1--      27.302                  1.271                  3.116
 RC180  Fr= 1--      -0.434                 -0.195                 -0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      5.6835                13.0945                 9.1790
  Dep-P Fr= 1--      0.2378                 0.3400                 0.4839
  Dep-U Fr= 1--      0.3842                 0.5075                 0.6522
 Alpha2 Fr= 1--      0.0697                 0.1187                 0.0488
 Beta2  Fr= 1--      0.3640                 1.1075                 0.9978
 AlphaG Fr= 1--     -0.0626                 0.1354                -0.0026
 Gamma2 Fr= 1--      0.4128                -0.1294                 3.3404
 Delta2 Fr= 1--     -0.6536                 1.4316                 6.6170
 Raman1 Fr= 1--      22.734                 52.378                 36.716
 ROA1   Fr= 1--      18.712                 33.383                532.422
 CID1   Fr= 1--       0.823                  0.637                 14.501
 Raman2 Fr= 1--       4.367                 13.290                 11.974
 ROA2   Fr= 1--      15.136                -14.559                 27.234
 CID2   Fr= 1--       3.466                 -1.095                  2.275
 Raman3 Fr= 1--       8.735                 26.580                 23.947
 ROA3   Fr= 1--      18.712                 33.383                532.422
 CID3   Fr= 1--       2.142                  1.256                 22.233
 RC180  Fr= 1--      -0.232                  0.015                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.8199                47.0144                 1.5237
  Dep-P Fr= 1--      0.7405                 0.4655                 0.4381
  Dep-U Fr= 1--      0.8509                 0.6353                 0.6093
 Alpha2 Fr= 1--      0.0001                 0.2704                 0.0098
 Beta2  Fr= 1--      0.1163                 4.9781                 0.1547
 AlphaG Fr= 1--     -0.0129                -0.1854                 0.0005
 Gamma2 Fr= 1--     -0.2328               -19.2040                -0.1315
 Delta2 Fr= 1--     -0.0924                -7.0124                 0.1476
 Raman1 Fr= 1--       3.280                188.058                  6.095
 ROA1   Fr= 1--     -25.311              -2067.985                 -7.901
 CID1   Fr= 1--      -7.717                -10.997                 -1.296
 Raman2 Fr= 1--       1.395                 59.737                  1.857
 ROA2   Fr= 1--      -4.849               -404.798                 -4.336
 CID2   Fr= 1--      -3.475                 -6.776                 -2.335
 Raman3 Fr= 1--       2.791                119.474                  3.714
 ROA3   Fr= 1--     -25.311              -2067.985                 -7.901
 CID3   Fr= 1--      -9.069                -17.309                 -2.127
 RC180  Fr= 1--       0.702                  0.271                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      3.1791                84.3886                69.9857
  Dep-P Fr= 1--      0.7490                 0.2539                 0.2753
  Dep-U Fr= 1--      0.8565                 0.4050                 0.4317
 Alpha2 Fr= 1--      0.0001                 0.9891                 0.7719
 Beta2  Fr= 1--      0.4538                 5.6968                 5.0356
 AlphaG Fr= 1--     -0.0001                -0.1100                -0.0956
 Gamma2 Fr= 1--      4.4114                 5.2608                -2.2049
 Delta2 Fr= 1--      0.2842                 3.1235                -0.2662
 Raman1 Fr= 1--      12.717                337.554                279.943
 ROA1   Fr= 1--     432.592                604.989               -220.192
 CID1   Fr= 1--      34.018                  1.792                 -0.787
 Raman2 Fr= 1--       5.446                 68.361                 60.428
 ROA2   Fr= 1--     103.600                101.272                -50.789
 CID2   Fr= 1--      19.024                  1.481                 -0.840
 Raman3 Fr= 1--      10.891                136.723                120.855
 ROA3   Fr= 1--     432.592                604.989               -220.192
 CID3   Fr= 1--      39.719                  4.425                 -1.822
 RC180  Fr= 1--       0.713                 -0.190                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      7.8466                10.8473                 6.9973
  Dep-P Fr= 1--      0.4557                 0.6414                 0.4468
  Dep-U Fr= 1--      0.6261                 0.7815                 0.6176
 Alpha2 Fr= 1--      0.0470                 0.0213                 0.0434
 Beta2  Fr= 1--      0.8187                 1.4129                 0.7203
 AlphaG Fr= 1--     -0.0504                -0.0016                 0.0030
 Gamma2 Fr= 1--      0.4295                -6.7533                14.7581
 Delta2 Fr= 1--     -0.0199                 0.0142                -0.6700
 Raman1 Fr= 1--      31.386                 43.389                 27.989
 ROA1   Fr= 1--      40.591               -647.863               1395.337
 CID1   Fr= 1--       1.293                -14.931                 49.853
 Raman2 Fr= 1--       9.825                 16.955                  8.644
 ROA2   Fr= 1--      10.466               -162.192                359.553
 CID2   Fr= 1--       1.065                 -9.566                 41.598
 Raman3 Fr= 1--      19.650                 33.910                 17.287
 ROA3   Fr= 1--      40.591               -647.863               1395.337
 CID3   Fr= 1--       2.066                -19.106                 80.715
 RC180  Fr= 1--       0.252                  0.563                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     25.0348                 7.3635                 6.1525
  Dep-P Fr= 1--      0.2143                 0.3134                 0.6132
  Dep-U Fr= 1--      0.3530                 0.4772                 0.7603
 Alpha2 Fr= 1--      0.3272                 0.0725                 0.0155
 Beta2  Fr= 1--      1.4730                 0.5856                 0.7796
 AlphaG Fr= 1--     -0.1132                 0.0888                -0.0370
 Gamma2 Fr= 1--     -0.8122                -4.6363                -1.6174
 Delta2 Fr= 1--      0.7033                -1.4712                 1.7660
 Raman1 Fr= 1--     100.139                 29.454                 24.610
 ROA1   Fr= 1--     -55.468               -492.166                -98.756
 CID1   Fr= 1--      -0.554                -16.710                 -4.013
 Raman2 Fr= 1--      17.676                  7.027                  9.355
 ROA2   Fr= 1--     -25.120                -99.503                -52.946
 CID2   Fr= 1--      -1.421                -14.159                 -5.660
 Raman3 Fr= 1--      35.352                 14.055                 18.710
 ROA3   Fr= 1--     -55.468               -492.166                -98.756
 CID3   Fr= 1--      -1.569                -35.017                 -5.278
 RC180  Fr= 1--      -0.294                 -0.046                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--     96.1375                60.2743               359.6919
  Dep-P Fr= 1--      0.2182                 0.1763                 0.2142
  Dep-U Fr= 1--      0.3583                 0.2998                 0.3528
 Alpha2 Fr= 1--      1.2434                 0.8710                 4.7029
 Beta2  Fr= 1--      5.7407                 3.0116                21.1519
 AlphaG Fr= 1--      0.2465                -0.2152                -1.6722
 Gamma2 Fr= 1--      2.4347                 0.3947                -7.6162
 Delta2 Fr= 1--     -1.5399                -2.1509                 0.2923
 Raman1 Fr= 1--     384.550                241.097               1438.767
 ROA1   Fr= 1--     184.456                -30.937               -721.803
 CID1   Fr= 1--       0.480                 -0.128                 -0.502
 Raman2 Fr= 1--      68.888                 36.139                253.823
 ROA2   Fr= 1--      70.753                 26.679               -185.128
 CID2   Fr= 1--       1.027                  0.738                 -0.729
 Raman3 Fr= 1--     137.777                 72.278                507.645
 ROA3   Fr= 1--     184.456                -30.937               -721.803
 CID3   Fr= 1--       1.339                 -0.428                 -1.422
 RC180  Fr= 1--      -0.283                 -0.400                 -0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    192.1386               214.9312                11.5528
  Dep-P Fr= 1--      0.1928                 0.2860                 0.4022
  Dep-U Fr= 1--      0.3233                 0.4448                 0.5736
 Alpha2 Fr= 1--      2.6595                 2.2975                 0.0849
 Beta2  Fr= 1--     10.3519                15.9350                 1.1045
 AlphaG Fr= 1--     -1.0358                 0.2150                -0.0541
 Gamma2 Fr= 1--     -2.7254                -4.8350                 0.4817
 Delta2 Fr= 1--      1.6349                 1.1980                -0.1812
 Raman1 Fr= 1--     768.554                859.725                 46.211
 ROA1   Fr= 1--    -209.319               -425.823                 40.448
 CID1   Fr= 1--      -0.272                 -0.495                  0.875
 Raman2 Fr= 1--     124.223                191.220                 13.254
 ROA2   Fr= 1--     -78.488               -125.624                 13.011
 CID2   Fr= 1--      -0.632                 -0.657                  0.982
 Raman3 Fr= 1--     248.445                382.441                 26.508
 ROA3   Fr= 1--    -209.319               -425.823                 40.448
 CID3   Fr= 1--      -0.843                 -1.113                  1.526
 RC180  Fr= 1--      -0.353                 -0.110                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      5.4721                11.8047                 8.6600
  Dep-P Fr= 1--      0.7478                 0.7500                 0.5720
  Dep-U Fr= 1--      0.8557                 0.8571                 0.7277
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0291
 Beta2  Fr= 1--      0.7804                 1.6864                 1.0503
 AlphaG Fr= 1--      0.0007                -0.0000                 0.1147
 Gamma2 Fr= 1--      0.9696                -0.0428                 3.6601
 Delta2 Fr= 1--     -1.2773                 0.0694                 2.7202
 Raman1 Fr= 1--      21.888                 47.219                 34.640
 ROA1   Fr= 1--      52.214                 -1.888                438.419
 CID1   Fr= 1--       2.385                 -0.040                 12.656
 Raman2 Fr= 1--       9.365                 20.237                 12.604
 ROA2   Fr= 1--      33.490                 -1.582                 66.081
 CID2   Fr= 1--       3.576                 -0.078                  5.243
 Raman3 Fr= 1--      18.730                 40.473                 25.208
 ROA3   Fr= 1--      52.214                 -1.888                438.419
 CID3   Fr= 1--       2.788                 -0.047                 17.392
 RC180  Fr= 1--       0.711                  0.714                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     14.5942               145.7584                15.8118
  Dep-P Fr= 1--      0.4861                 0.2707                 0.1501
  Dep-U Fr= 1--      0.6542                 0.4261                 0.2610
 Alpha2 Fr= 1--      0.0768                 1.6289                 0.2444
 Beta2  Fr= 1--      1.5912                10.3514                 0.6879
 AlphaG Fr= 1--      0.0047                -0.1223                -0.2931
 Gamma2 Fr= 1--      0.2574                -3.8268                -1.2539
 Delta2 Fr= 1--      0.4977                 0.8427                 0.5669
 Raman1 Fr= 1--      58.377                583.034                 63.247
 ROA1   Fr= 1--      40.634               -340.404               -102.232
 CID1   Fr= 1--       0.696                 -0.584                 -1.616
 Raman2 Fr= 1--      19.095                124.217                  8.255
 ROA2   Fr= 1--       2.195                -98.584                -34.628
 CID2   Fr= 1--       0.115                 -0.794                 -4.195
 Raman3 Fr= 1--      38.189                248.433                 16.510
 ROA3   Fr= 1--      40.634               -340.404               -102.232
 CID3   Fr= 1--       1.064                 -1.370                 -6.192
 RC180  Fr= 1--       0.308                 -0.148                 -0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     74.8465                 7.6913               455.4723
  Dep-P Fr= 1--      0.5066                 0.6405                 0.3646
  Dep-U Fr= 1--      0.6725                 0.7809                 0.5344
 Alpha2 Fr= 1--      0.3583                 0.0152                 3.8111
 Beta2  Fr= 1--      8.3891                 1.0010                40.5678
 AlphaG Fr= 1--     -0.4860                -0.0428                -1.8298
 Gamma2 Fr= 1--      0.5372                 0.9333               -13.3269
 Delta2 Fr= 1--      0.8407                 3.0316                 0.5611
 Raman1 Fr= 1--     299.386                 30.765               1821.889
 ROA1   Fr= 1--      78.473                186.603              -1261.432
 CID1   Fr= 1--       0.262                  6.065                 -0.692
 Raman2 Fr= 1--     100.669                 12.012                486.814
 ROA2   Fr= 1--       6.167                 -1.854               -324.335
 CID2   Fr= 1--       0.061                 -0.154                 -0.666
 Raman3 Fr= 1--     201.338                 24.024                973.628
 ROA3   Fr= 1--      78.473                186.603              -1261.432
 CID3   Fr= 1--       0.390                  7.767                 -1.296
 RC180  Fr= 1--       0.345                  0.562                  0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     40.5751               276.1687                69.6353
  Dep-P Fr= 1--      0.3006                 0.0528                 0.1401
  Dep-U Fr= 1--      0.4622                 0.1004                 0.2458
 Alpha2 Fr= 1--      0.4154                 5.4183                 1.1036
 Beta2  Fr= 1--      3.1260                 4.6206                 2.8532
 AlphaG Fr= 1--     -1.4852                -0.3602                 0.3495
 Gamma2 Fr= 1--     -8.2522                -1.2517                -0.4616
 Delta2 Fr= 1--     -0.5720                 0.5101                 0.2261
 Raman1 Fr= 1--     162.300               1104.675                278.541
 ROA1   Fr= 1--    -810.516               -103.839                -37.076
 CID1   Fr= 1--      -4.994                 -0.094                 -0.133
 Raman2 Fr= 1--      37.511                 55.447                 34.239
 ROA2   Fr= 1--    -193.477                -34.121                -12.886
 CID2   Fr= 1--      -5.158                 -0.615                 -0.376
 Raman3 Fr= 1--      75.023                110.893                 68.478
 ROA3   Fr= 1--    -810.516               -103.839                -37.076
 CID3   Fr= 1--     -10.804                 -0.936                 -0.541
 RC180  Fr= 1--      -0.076                 -0.799                 -0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    196.1414                86.4245                36.0467
  Dep-P Fr= 1--      0.0289                 0.7499                 0.7472
  Dep-U Fr= 1--      0.0563                 0.8571                 0.8553
 Alpha2 Fr= 1--      4.0726                 0.0001                 0.0017
 Beta2  Fr= 1--      1.8393                12.3457                 5.1385
 AlphaG Fr= 1--      0.2847                -0.0404                 0.0105
 Gamma2 Fr= 1--      1.7764                -1.7150                -2.1167
 Delta2 Fr= 1--      3.9660                -1.3131                 2.2482
 Raman1 Fr= 1--     784.566                345.698                144.187
 ROA1   Fr= 1--     297.448               -206.659               -131.261
 CID1   Fr= 1--       0.379                 -0.598                 -0.910
 Raman2 Fr= 1--      22.072                148.148                 61.662
 ROA2   Fr= 1--      10.906                -30.655                -68.787
 CID2   Fr= 1--       0.494                 -0.207                 -1.116
 Raman3 Fr= 1--      44.144                296.296                123.324
 ROA3   Fr= 1--     297.448               -206.659               -131.261
 CID3   Fr= 1--       6.738                 -0.697                 -1.064
 RC180  Fr= 1--      -0.887                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    198.7153               181.6352                58.4479
  Dep-P Fr= 1--      0.4798                 0.4425                 0.2897
  Dep-U Fr= 1--      0.6484                 0.6135                 0.4492
 Alpha2 Fr= 1--      1.0753                 1.1474                 0.6181
 Beta2  Fr= 1--     21.4755                18.5717                 4.3760
 AlphaG Fr= 1--      0.0070                 0.0746                 0.1014
 Gamma2 Fr= 1--     -0.9499                -0.1378                 1.2141
 Delta2 Fr= 1--     -8.0120                 0.5788                -0.6882
 Raman1 Fr= 1--     794.861                726.541                233.792
 ROA1   Fr= 1--    -347.573                  5.294                 94.531
 CID1   Fr= 1--      -0.437                  0.007                  0.404
 Raman2 Fr= 1--     257.707                222.861                 52.512
 ROA2   Fr= 1--      41.298                 -7.938                 34.644
 CID2   Fr= 1--       0.160                 -0.036                  0.660
 Raman3 Fr= 1--     515.413                445.722                105.023
 ROA3   Fr= 1--    -347.573                  5.294                 94.531
 CID3   Fr= 1--      -0.674                  0.012                  0.900
 RC180  Fr= 1--       0.297                  0.227                 -0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     56.7987                86.0590               106.0617
  Dep-P Fr= 1--      0.7484                 0.4206                 0.2224
  Dep-U Fr= 1--      0.8561                 0.5922                 0.3638
 Alpha2 Fr= 1--      0.0015                 0.5912                 1.3565
 Beta2  Fr= 1--      8.1043                 8.4934                 6.4315
 AlphaG Fr= 1--     -0.0096                -0.0421                -0.2532
 Gamma2 Fr= 1--      0.3757                -1.4780                 1.3403
 Delta2 Fr= 1--     -1.1057                -0.1165                 2.1312
 Raman1 Fr= 1--     227.195                344.236                424.247
 ROA1   Fr= 1--       0.680               -145.615                196.865
 CID1   Fr= 1--       0.003                 -0.423                  0.464
 Raman2 Fr= 1--      97.251                101.921                 77.178
 ROA2   Fr= 1--      17.862                -34.540                 15.116
 CID2   Fr= 1--       0.184                 -0.339                  0.196
 Raman3 Fr= 1--     194.503                203.842                154.356
 ROA3   Fr= 1--       0.680               -145.615                196.865
 CID3   Fr= 1--       0.003                 -0.714                  1.275
 RC180  Fr= 1--       0.712                  0.184                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    176.7324               147.0918               221.7647
  Dep-P Fr= 1--      0.2129                 0.2401                 0.2423
  Dep-U Fr= 1--      0.3511                 0.3873                 0.3900
 Alpha2 Fr= 1--      2.3187                 1.7919                 2.6857
 Beta2  Fr= 1--     10.3417                 9.4941                14.4157
 AlphaG Fr= 1--      0.0290                -0.1155                -5.2390
 Gamma2 Fr= 1--      0.5695                -1.2633               -49.5203
 Delta2 Fr= 1--      0.9244                -0.5054                -6.2130
 Raman1 Fr= 1--     706.930                588.367                887.059
 ROA1   Fr= 1--      84.247               -137.452              -4952.764
 CID1   Fr= 1--       0.119                 -0.234                 -5.583
 Raman2 Fr= 1--     124.101                113.929                172.988
 ROA2   Fr= 1--       6.272                -26.276              -1138.783
 CID2   Fr= 1--       0.051                 -0.231                 -6.583
 Raman3 Fr= 1--     248.202                227.858                345.977
 ROA3   Fr= 1--      84.247               -137.452              -4952.764
 CID3   Fr= 1--       0.339                 -0.603                -14.315
 RC180  Fr= 1--      -0.298                 -0.225                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.322702D+03  0.156550D+02  0.121250D+02
      2   0.156550D+02  0.169419D+03 -0.392251D+01
      3   0.121250D+02 -0.392251D+01  0.119884D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.952400D+01  0.272912D+02  0.735497D+01
      2  -0.510314D+02  0.100908D+02  0.305718D+02
      3   0.976064D+01  0.585424D+02 -0.727191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.366876D+03 -0.124937D+02 -0.485511D+02
      2   0.147812D+03  0.172806D+02 -0.412032D+01
      3   0.219064D+03 -0.478689D+01  0.526714D+02
      4  -0.214662D+02 -0.146288D+03  0.231739D+02
      5   0.282878D+02  0.218218D+02  0.716359D+02
      6   0.618010D+01  0.450316D+02 -0.253926D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434617D+02  0.862708D+01  0.141279D+01 -0.480892D+02 -0.411622D+01
      2   0.862708D+01  0.355720D+01  0.282960D+00 -0.411622D+01 -0.536829D+01
      3   0.141279D+01  0.282960D+00 -0.396763D+00 -0.264241D+01  0.176118D+00
                 6             7             8             9            10 
      1  -0.264241D+01  0.799618D+01  0.121483D+01  0.181239D+01 -0.339747D+02
      2   0.176118D+00  0.121483D+01  0.649400D+00 -0.954623D+00 -0.757080D+01
      3  -0.925802D-01  0.181239D+01 -0.954623D+00  0.379379D+00 -0.922729D+00
                11            12            13            14            15 
      1  -0.757080D+01 -0.922729D+00  0.517699D+02  0.503452D+01  0.302189D+01
      2  -0.608313D+00 -0.363840D+00  0.503452D+01  0.632514D+01 -0.116320D+00
      3  -0.363840D+00 -0.236461D+00  0.302189D+01 -0.116320D+00 -0.314223D-01
                16            17            18            19            20 
      1  -0.834869D+01 -0.122882D+01 -0.901103D+00 -0.591470D+02 -0.107190D+02
      2  -0.122882D+01 -0.567286D+00  0.859940D+00 -0.107190D+02 -0.973263D+01
      3  -0.901103D+00  0.859940D+00 -0.129668D+00 -0.121303D+01  0.340840D+00
                21            22            23            24            25 
      1  -0.121303D+01 -0.193879D+02 -0.226544D+01  0.347189D+00 -0.283166D+01
      2   0.340840D+00 -0.226544D+01 -0.468235D+01 -0.625231D+00  0.310575D+00
      3  -0.850119D+00  0.347189D+00 -0.625231D+00 -0.225991D+01  0.104375D+01
                26            27            28            29            30 
      1   0.310575D+00  0.104375D+01  0.607551D+02  0.458516D+01  0.103942D+01
      2  -0.127374D+01 -0.386138D+01  0.458516D+01  0.639438D+01  0.159162D-01
      3  -0.386138D+01  0.122431D+01  0.103942D+01  0.159162D-01  0.252732D+01
                31            32            33            34            35 
      1   0.130937D+01  0.458377D+01  0.418661D+00  0.932369D+00  0.789008D+00
      2   0.458377D+01  0.146772D+02 -0.634659D+00  0.789008D+00 -0.251600D+00
      3   0.418661D+00 -0.634659D+00  0.510623D+00  0.702009D+01  0.662050D+00
                36            37            38            39            40 
      1   0.702009D+01  0.681878D+01 -0.109951D+01  0.347293D+00  0.130896D+02
      2   0.662050D+00 -0.109951D+01  0.128089D+02 -0.105660D+01  0.286045D+00
      3   0.742347D+00  0.347293D+00 -0.105660D+01  0.178669D+01  0.620211D+00
                41            42            43            44            45 
      1   0.286045D+00  0.620211D+00 -0.278103D+00  0.251296D+00  0.459290D+01
      2  -0.902498D+01  0.114825D+01  0.251296D+00  0.258854D+01  0.172510D+01
      3   0.114825D+01  0.112201D+01  0.459290D+01  0.172510D+01  0.666470D+00
                46            47            48            49            50 
      1  -0.887036D+01  0.294121D+01 -0.133067D+01  0.308510D+01  0.342974D+01
      2   0.294121D+01 -0.912983D+01  0.320562D+00  0.342974D+01  0.730718D+00
      3  -0.133067D+01  0.320562D+00 -0.104916D+01 -0.264356D+00  0.895431D+00
                51            52            53            54            55 
      1  -0.264356D+00 -0.104466D+01 -0.752628D+00 -0.771211D+00 -0.148934D+00
      2   0.895431D+00 -0.752628D+00  0.808519D-01  0.451560D+01 -0.353102D+01
      3   0.133757D+01 -0.771211D+00  0.451560D+01 -0.121151D+01  0.496512D+00
                56            57            58            59            60 
      1  -0.353102D+01  0.496512D+00 -0.464095D+01 -0.442153D+01  0.333766D+00
      2   0.619698D+01 -0.519856D+00 -0.442153D+01 -0.208543D+01 -0.696425D+00
      3  -0.519856D+00  0.152646D+01  0.333766D+00 -0.696425D+00 -0.130342D+01
                61            62            63            64            65 
      1   0.727966D+00  0.502781D+00 -0.422114D+00  0.408413D+00 -0.200603D+01
      2   0.502781D+00 -0.132783D+00 -0.427957D+01 -0.200603D+01  0.107140D+01
      3  -0.422114D+00 -0.427957D+01  0.127553D+01  0.302360D+00 -0.276993D+00
                66            67            68            69            70 
      1   0.302360D+00 -0.205494D+01  0.271546D+01 -0.501439D+00  0.517863D+00
      2  -0.276993D+00  0.271546D+01 -0.782033D+01  0.113557D+01 -0.531292D+00
      3   0.140476D+00 -0.501439D+00  0.113557D+01 -0.913673D+00 -0.456406D-01
                71            72            73            74            75 
      1  -0.531292D+00 -0.456406D-01  0.713597D+01  0.326672D+01  0.302588D+00
      2   0.100129D+01 -0.270434D+00  0.326672D+01  0.280857D+01 -0.198823D-01
      3  -0.270434D+00  0.218951D+00  0.302588D+00 -0.198823D-01  0.563802D+00
                76            77            78            79            80 
      1   0.450672D+01  0.420815D+01 -0.108289D+00  0.201312D+00 -0.388512D+00
      2   0.420815D+01  0.425333D+01 -0.763341D-03 -0.388512D+00 -0.283525D+00
      3  -0.108289D+00 -0.763341D-03  0.589555D+00 -0.331770D+00  0.290461D+00
                81            82            83            84            85 
      1  -0.331770D+00 -0.505484D+00  0.140962D+01 -0.197570D+00  0.574973D+00
      2   0.290461D+00  0.140962D+01 -0.157436D+01  0.250815D+00 -0.601734D+00
      3  -0.184584D+00 -0.197570D+00  0.250815D+00 -0.127837D+00  0.365696D-01
                86            87            88            89            90 
      1  -0.601734D+00  0.365696D-01 -0.218915D+00  0.227388D+00  0.797862D-01
      2   0.110650D+02 -0.105915D+01  0.227388D+00 -0.128761D+01  0.308815D+00
      3  -0.105915D+01  0.982208D+00  0.797862D-01  0.308815D+00 -0.153305D+00
                91            92            93            94            95 
      1  -0.231963D+02 -0.182818D+01  0.478875D-01 -0.336254D+00 -0.185283D+00
      2  -0.182818D+01  0.262365D+00 -0.569014D+00 -0.185283D+00  0.502387D+01
      3   0.478875D-01 -0.569014D+00 -0.348392D+01 -0.234443D+01 -0.854552D+00
                96            97            98            99           100 
      1  -0.234443D+01  0.170728D+01 -0.140276D+01 -0.831557D+01 -0.647234D+01
      2  -0.854552D+00 -0.140276D+01 -0.473729D+00 -0.835546D+00  0.271986D+01
      3  -0.766130D+00 -0.831557D+01 -0.835546D+00  0.337008D+00 -0.192769D+01
               101           102           103           104           105 
      1   0.271986D+01 -0.192769D+01  0.856283D+01 -0.170804D+00  0.190366D+01
      2  -0.519183D+00  0.264001D+00 -0.170804D+00 -0.472042D+01 -0.109104D+00
      3   0.264001D+00  0.367597D+01  0.190366D+01 -0.109104D+00  0.267803D+01
               106           107           108           109           110 
      1   0.471315D+01  0.108176D+01  0.573217D+01 -0.857671D+01 -0.179624D+01
      2   0.108176D+01  0.533478D+00  0.192639D+01 -0.179624D+01 -0.542459D+00
      3   0.573217D+01  0.192639D+01 -0.627342D+00  0.902545D+00  0.559724D+00
               111           112           113           114           115 
      1   0.902545D+00 -0.315469D+01 -0.265226D+00  0.161451D+01 -0.113262D+02
      2   0.559724D+00 -0.265226D+00 -0.991014D+00 -0.784950D-01  0.446680D+00
      3   0.104837D+01  0.161451D+01 -0.784950D-01  0.428649D+00  0.527938D+01
               116           117           118           119           120 
      1   0.446680D+00  0.527938D+01 -0.155073D+01 -0.103921D+01  0.117985D+00
      2  -0.789501D+00  0.366157D+00 -0.103921D+01  0.430287D+00 -0.323573D-01
      3   0.366157D+00 -0.670554D+00  0.117985D+00 -0.323573D-01  0.736046D+00
               121           122           123           124           125 
      1  -0.290884D+01  0.180514D+01 -0.936418D-01 -0.443729D+00 -0.102388D+00
      2   0.180514D+01 -0.666986D+01  0.886249D+00 -0.102388D+00  0.694176D+00
      3  -0.936418D-01  0.886249D+00 -0.160019D+01  0.116922D+01 -0.988768D+00
               126           127           128           129           130 
      1   0.116922D+01  0.156809D+02 -0.158795D+01  0.371780D+01 -0.414434D+01
      2  -0.988768D+00 -0.158795D+01  0.124852D+01 -0.254628D+00  0.170075D+01
      3   0.724385D+00  0.371780D+01 -0.254628D+00  0.216790D+01 -0.127964D+01
               131           132           133           134           135 
      1   0.170075D+01 -0.127964D+01  0.127533D+01 -0.346457D+00  0.124192D+01
      2  -0.517488D+00  0.442736D+00 -0.346457D+00 -0.422659D-01 -0.479018D+00
      3   0.442736D+00 -0.115852D+01  0.124192D+01 -0.479018D+00  0.739039D+00
               136           137           138           139           140 
      1  -0.514183D+00 -0.403643D+00  0.963436D+00 -0.124413D+01  0.320693D-01
      2  -0.403643D+00 -0.464944D+00  0.177167D+00  0.320693D-01 -0.162083D+00
      3   0.963436D+00  0.177167D+00 -0.336940D+01 -0.277770D+00  0.114814D+01
               141           142           143           144           145 
      1  -0.277770D+00  0.412837D+00 -0.106922D+00 -0.480375D+00  0.106145D+01
      2   0.114814D+01 -0.106922D+00  0.954172D+00 -0.864290D+00  0.796181D+00
      3  -0.191403D+01 -0.480375D+00 -0.864290D+00  0.755396D+01  0.127556D+00
               146           147           148           149           150 
      1   0.796181D+00  0.127556D+00  0.250985D+01  0.129893D+01  0.946721D+00
      2   0.478086D+00  0.511400D-01  0.129893D+01  0.635131D+01  0.116515D+01
      3   0.511400D-01 -0.396523D+00  0.946721D+00  0.116515D+01  0.175102D+01
               151           152           153           154           155 
      1  -0.418305D+00  0.105021D+00 -0.235789D+00  0.218901D+02  0.235768D+01
      2   0.105021D+00  0.440217D-01  0.654978D+00  0.235768D+01  0.186542D+01
      3  -0.235789D+00  0.654978D+00  0.323271D+00 -0.163436D+01 -0.109918D+00
               156           157           158           159           160 
      1  -0.163436D+01  0.538822D+01  0.427514D+01 -0.837265D+00 -0.227713D+01
      2  -0.109918D+00  0.427514D+01  0.218710D+01 -0.303877D+00 -0.472788D+00
      3   0.317593D+01 -0.837265D+00 -0.303877D+00  0.871586D+00  0.262859D+01
               161           162           163           164           165 
      1  -0.472788D+00  0.262859D+01  0.162388D+02 -0.308006D-02 -0.479160D+01
      2   0.203713D+00  0.639886D+00 -0.308006D-02  0.113992D+00  0.581397D+00
      3   0.639886D+00 -0.124434D+00 -0.479160D+01  0.581397D+00  0.131178D+01
               166           167           168           169           170 
      1   0.342462D+01 -0.784717D-02 -0.604240D+00 -0.104220D+01  0.710948D+00
      2  -0.784717D-02 -0.674507D+00 -0.149302D+01  0.710948D+00 -0.644182D+00
      3  -0.604240D+00 -0.149302D+01 -0.186162D-01  0.693686D+00 -0.981668D+00
               171           172           173           174           175 
      1   0.693686D+00 -0.124013D+02  0.188911D+00  0.262777D+01 -0.145452D+01
      2  -0.981668D+00  0.188911D+00 -0.400057D+00 -0.819782D+00  0.263731D+00
      3  -0.750610D+01  0.262777D+01 -0.819782D+00 -0.324488D+01  0.168976D+00
               176           177           178           179           180 
      1   0.263731D+00  0.168976D+00  0.754739D+01 -0.594750D+00 -0.258129D+01
      2  -0.792869D+00 -0.825827D+00 -0.594750D+00 -0.932274D+00  0.525754D-01
      3  -0.825827D+00 -0.728558D+00 -0.258129D+01  0.525754D-01 -0.259439D+00
               181           182           183           184           185 
      1  -0.570165D+01  0.165779D+00  0.398062D-01 -0.163163D+02 -0.100271D+01
      2   0.165779D+00 -0.105339D+02  0.131992D+01 -0.100271D+01  0.586551D+01
      3   0.398062D-01  0.131992D+01 -0.209438D+01 -0.154033D+01 -0.129299D+01
               186           187           188           189           190 
      1  -0.154033D+01  0.212608D+01 -0.150252D+00 -0.438257D+01 -0.391336D+02
      2  -0.129299D+01 -0.150252D+00 -0.207264D+01 -0.238776D+01 -0.524655D+01
      3  -0.100182D+01 -0.438257D+01 -0.238776D+01 -0.166325D+00 -0.130180D+01
               191           192           193           194           195 
      1  -0.524655D+01 -0.130180D+01  0.716129D+00 -0.435712D+01 -0.321448D-01
      2  -0.101292D+02  0.482345D+00 -0.435712D+01 -0.120472D+02  0.126653D+01
      3   0.482345D+00 -0.267715D+01 -0.321448D-01  0.126653D+01  0.218657D+00
               196           197           198           199           200 
      1  -0.208955D+01 -0.726566D+00 -0.739232D+01  0.432694D+02  0.104005D+02
      2  -0.726566D+00  0.392342D+00 -0.470561D+00  0.104005D+02  0.769178D+01
      3  -0.739232D+01 -0.470561D+00 -0.124300D+01  0.149911D+01 -0.610169D+00
               201           202           203           204           205 
      1   0.149911D+01  0.157229D+02  0.299756D+01  0.605695D+00  0.192982D+01
      2  -0.610169D+00  0.299756D+01  0.526656D+01  0.329127D+00  0.120969D+00
      3   0.648811D+00  0.605695D+00  0.329127D+00  0.186647D+01 -0.200257D-01
               206           207           208           209           210 
      1   0.120969D+00 -0.200257D-01  0.765557D+01  0.365655D+01  0.283215D+00
      2   0.109700D+01  0.459207D+01  0.365655D+01  0.351887D+01 -0.139515D+00
      3   0.459207D+01 -0.113559D+01  0.283215D+00 -0.139515D+00 -0.402313D+00
               211           212           213           214           215 
      1  -0.409118D+01 -0.376327D+01  0.136211D+00  0.110248D+01  0.633737D+00
      2  -0.376327D+01  0.135662D+01 -0.471779D+00  0.633737D+00  0.313449D+00
      3   0.136211D+00 -0.471779D+00 -0.898221D+00 -0.687188D-01  0.792968D+00
               216           217           218           219           220 
      1  -0.687188D-01 -0.254924D+01 -0.447255D+01 -0.470859D-01 -0.165705D+01
      2   0.792968D+00 -0.447255D+01 -0.611799D+00 -0.604558D+00  0.370732D+01
      3  -0.117118D+00 -0.470859D-01 -0.604558D+00  0.925300D+00 -0.747460D+00
               221           222           223           224           225 
      1   0.370732D+01 -0.747460D+00 -0.577827D+00 -0.804466D+00  0.334173D+01
      2   0.137379D+01  0.125350D+01 -0.804466D+00  0.778402D+00  0.437621D+01
      3   0.125350D+01  0.594757D+01  0.334173D+01  0.437621D+01 -0.106395D+01
               226           227           228           229           230 
      1   0.893279D-01 -0.138312D+01  0.158929D+00 -0.305802D+00 -0.146597D-01
      2  -0.138312D+01  0.154256D+01 -0.268002D+00 -0.146597D-01 -0.105031D+02
      3   0.158929D+00 -0.268002D+00  0.128938D+00  0.373543D-01  0.109678D+01
               231           232           233           234           235 
      1   0.373543D-01  0.598392D-02 -0.103360D+00 -0.296927D-01 -0.788504D+01
      2   0.109678D+01 -0.103360D+00  0.121499D+01 -0.288112D+00 -0.349219D+01
      3  -0.956714D+00 -0.296927D-01 -0.288112D+00  0.146372D+00 -0.235532D+00
               236           237           238           239           240 
      1  -0.349219D+01 -0.235532D+00 -0.520057D+01 -0.438930D+01  0.177403D+00
      2  -0.278062D+01  0.224951D-01 -0.438930D+01 -0.428462D+01  0.617905D-01
      3   0.224951D-01 -0.338197D+00  0.177403D+00  0.617905D-01 -0.527386D+00
               241           242           243           244           245 
      1  -0.197485D+00  0.248190D+00  0.404099D+00 -0.721663D+00  0.221436D+01
      2   0.248190D+00  0.200116D+00 -0.150351D+00  0.221436D+01 -0.173271D+01
      3   0.404099D+00 -0.150351D+00  0.143926D+00 -0.250672D+00  0.316764D+00
               246           247           248           249           250 
      1  -0.250672D+00  0.275572D+01 -0.343171D+01  0.458202D+00 -0.298972D+00
      2   0.316764D+00 -0.343171D+01  0.895794D+01 -0.107340D+01  0.516346D+00
      3  -0.269073D+00  0.458202D+00 -0.107340D+01  0.104478D+01 -0.297481D+00
               251           252           253           254           255 
      1   0.516346D+00 -0.297481D+00 -0.650804D+00 -0.290353D+00  0.163688D+01
      2  -0.106849D+01  0.283973D+00 -0.290353D+00  0.273967D-02  0.475027D+00
      3   0.283973D+00 -0.186655D+00  0.163688D+01  0.475027D+00 -0.416438D+00
               256           257           258           259           260 
      1  -0.249095D+01 -0.212869D+01  0.155497D+01  0.620091D+01  0.178396D+01
      2  -0.212869D+01 -0.196040D+01  0.155162D+01  0.178396D+01  0.171226D+01
      3   0.155497D+01  0.155162D+01 -0.248091D+01 -0.373544D+01 -0.240268D+01
               261           262           263           264           265 
      1  -0.373544D+01  0.669011D+00 -0.231649D+00 -0.989619D+00 -0.308027D+01
      2  -0.240268D+01 -0.231649D+00  0.201382D+00 -0.128536D+00 -0.251076D+01
      3   0.524464D+01 -0.989619D+00 -0.128536D+00  0.120265D+00 -0.174999D+01
               266           267           268           269           270 
      1  -0.251076D+01 -0.174999D+01 -0.442117D+01 -0.162364D+01 -0.321500D+01
      2  -0.324990D+01 -0.252162D+01 -0.162364D+01 -0.229344D+01 -0.288951D+01
      3  -0.252162D+01 -0.316127D+01 -0.321500D+01 -0.288951D+01 -0.453660D+01
               271           272           273           274           275 
      1  -0.131345D+02  0.337149D+01 -0.118153D+01  0.714186D+01 -0.270601D+01
      2   0.337149D+01 -0.143347D+01  0.312581D+00 -0.270601D+01  0.212085D+01
      3  -0.118153D+01  0.312581D+00 -0.113145D+01  0.641415D+00 -0.399759D+00
               276           277           278           279 
      1   0.641415D+00 -0.158240D+01  0.392117D+00 -0.181359D+01
      2  -0.399759D+00  0.392117D+00 -0.345129D+00  0.571031D-01
      3   0.464636D+00 -0.181359D+01  0.571031D-01 -0.403419D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.820698D+00 -0.390382D+01 -0.327480D+00 -0.313304D+01 -0.196971D+01
      2  -0.126575D+02  0.394801D+01  0.438894D+00  0.146211D+02  0.286641D+01
      3  -0.712316D+01  0.453811D+02 -0.568085D+01  0.450151D+02  0.221391D+02
                 6             7             8             9            10 
      1  -0.206955D+00  0.404685D+01  0.690615D+01 -0.523039D+00 -0.181756D+01
      2  -0.476636D-01 -0.219752D+02 -0.218835D+01 -0.150909D+01  0.155378D+02
      3   0.227593D-01 -0.120099D+01  0.205611D+01 -0.226971D+01  0.237083D+02
                11            12            13            14            15 
      1  -0.482625D+01 -0.100778D+00 -0.443576D+01  0.478058D+00 -0.685886D-01
      2   0.752465D+01 -0.376458D+01 -0.798678D+01  0.117415D+01 -0.407867D+00
      3   0.523182D+02 -0.389763D+01  0.629450D+02  0.186843D+02  0.277083D+01
                16            17            18            19            20 
      1   0.283641D+01  0.656784D+01 -0.744466D+00 -0.156303D+01  0.865845D+00
      2  -0.213552D+02 -0.103912D+00 -0.149678D+01  0.231172D+02 -0.623020D+00
      3  -0.172788D+01  0.259677D+01  0.130250D+01  0.240887D+02 -0.343091D+02
                21            22            23            24            25 
      1  -0.116759D+01  0.180351D+01 -0.233137D+01 -0.296172D+01  0.461180D+01
      2  -0.107767D+01  0.608912D+01  0.727138D+00 -0.237571D+01 -0.194512D+02
      3   0.567379D+01  0.104082D+02  0.440470D+01  0.593255D+00  0.146515D+01
                26            27            28            29            30 
      1  -0.112489D+01 -0.151410D+01 -0.323140D+01 -0.934673D+00  0.444380D+00
      2  -0.797007D+01  0.328918D+00 -0.224946D+02 -0.381198D+00  0.183049D+01
      3  -0.217819D+01  0.475491D+01  0.496365D+00  0.931058D+01 -0.173139D+01
                31            32            33            34            35 
      1  -0.489468D+01  0.609783D+01  0.184589D+01  0.305371D+01  0.149119D+02
      2   0.294330D+01 -0.135607D+01  0.182090D+01 -0.168573D+02 -0.272703D+01
      3   0.323771D+02  0.493952D+01 -0.119385D+01  0.307871D+00  0.158234D+01
                36            37            38            39            40 
      1  -0.102994D+01 -0.128450D+01  0.190434D+01 -0.410344D+01 -0.811101D+00
      2  -0.167043D+01  0.370923D+01  0.237475D+00  0.223699D+01 -0.834201D+01
      3  -0.243844D+01  0.338525D+02  0.254145D+01  0.669562D+00 -0.122687D+02
                41            42            43            44            45 
      1  -0.226361D+01 -0.226848D+00 -0.167052D+02  0.977413D+01 -0.242342D+01
      2   0.141483D+01  0.774335D+00 -0.775570D+01  0.691317D+01 -0.155072D+01
      3   0.462262D+01  0.915951D+00  0.278153D+01  0.144471D+01  0.698196D+01
                46            47            48            49            50 
      1   0.405230D+01  0.117642D+01  0.389192D+01  0.256615D+01  0.119285D+01
      2  -0.567908D+01 -0.533535D+01  0.700718D+00 -0.454095D+01 -0.338391D+01
      3  -0.636558D+02 -0.361426D+02  0.453353D+00 -0.116855D+02 -0.250813D+02
                51            52            53            54            55 
      1  -0.273262D+01  0.632203D+01 -0.482544D+01  0.364289D+01  0.152126D+01
      2   0.729070D+00 -0.190397D+02  0.239068D+01 -0.208636D+01  0.410692D-01
      3   0.599054D+00 -0.145452D+01 -0.130742D+01 -0.585803D+01 -0.318650D+02
                56            57            58            59            60 
      1   0.523708D+01  0.295666D+01 -0.495689D-01  0.115028D+01 -0.238651D+01
      2  -0.491872D+01 -0.398100D+01 -0.133475D+01 -0.780054D+00  0.317317D+01
      3  -0.384781D+02  0.377889D+01 -0.180459D+01 -0.273365D+02  0.135258D+01
                61            62            63            64            65 
      1   0.327251D+01 -0.453300D+01  0.139427D+01 -0.527352D+00 -0.164815D-01
      2  -0.238183D+02  0.700400D+01 -0.430388D+01  0.291515D+00  0.511211D+00
      3   0.117510D+01 -0.253032D+01 -0.101460D+02  0.857459D+00  0.485434D+00
                66            67            68            69            70 
      1   0.779223D+00  0.587235D+00 -0.191863D+01 -0.364964D+01 -0.123405D+00
      2   0.847245D-01  0.900068D+00  0.166489D+00 -0.118934D+01 -0.162494D+01
      3   0.570818D-01  0.419964D+01  0.558541D+01 -0.671624D+00 -0.214836D+00
                71            72            73            74            75 
      1   0.251102D+01  0.442788D+00 -0.698668D+00  0.269822D+00 -0.280780D+01
      2   0.100972D+01  0.220845D-01 -0.807046D+00 -0.729538D+00  0.229464D+01
      3  -0.759851D+00 -0.524689D+00  0.112135D+02  0.146949D+00  0.711845D+00
                76            77            78            79            80 
      1   0.126872D+01  0.945157D+00 -0.249357D+01  0.208477D+01  0.905060D+00
      2  -0.149759D+01 -0.962928D+00  0.253578D+01 -0.237002D+01  0.257411D+00
      3   0.183700D+01 -0.164438D+01 -0.197407D+00  0.214702D+01 -0.136226D+00
                81            82            83            84            85 
      1   0.345134D+00  0.710583D+00 -0.654980D+00  0.101863D+01 -0.276587D+00
      2  -0.400828D+00 -0.481064D+00  0.431394D-01  0.457102D+00  0.373403D+00
      3  -0.932750D+00 -0.457022D+01  0.229411D+01 -0.586338D+00  0.476940D+01
                86            87            88            89            90 
      1   0.267080D+01 -0.510833D+01 -0.117361D+01  0.171829D+01  0.303221D+00
      2  -0.388928D+00 -0.663342D+00 -0.369940D+00 -0.963464D+00  0.351479D+00
      3  -0.369957D+01  0.587654D+00 -0.103698D+01  0.109900D+01  0.107512D+01
                91            92            93            94            95 
      1  -0.131508D+01 -0.257805D+00 -0.111797D+01 -0.246103D+01  0.255862D+01
      2   0.160051D+02 -0.127099D+01 -0.791966D+01 -0.608385D+01 -0.276404D+01
      3   0.634393D+01 -0.784064D+01  0.205577D+01  0.931135D+01 -0.231709D+02
                96            97            98            99           100 
      1  -0.317483D+01 -0.511254D+01  0.309259D+01 -0.640562D+00  0.547190D+01
      2  -0.103495D+01 -0.396070D+02 -0.204251D+01  0.533270D+01  0.101369D+02
      3   0.473854D+01  0.472628D+01  0.360089D+01  0.595498D+01 -0.177894D+02
               101           102           103           104           105 
      1   0.688230D+00 -0.102813D+00 -0.202767D+01 -0.117348D+02 -0.387805D+01
      2  -0.291656D+01  0.226692D+02 -0.172446D+01  0.800868D+00  0.906716D+01
      3  -0.188474D+01 -0.294261D+01  0.441316D+01  0.252165D+02  0.823144D+00
               106           107           108           109           110 
      1   0.210264D+01  0.188892D+01  0.676244D+01  0.802430D+01  0.325196D+01
      2   0.170355D+02  0.705664D+01 -0.122090D+02 -0.161941D+02  0.933816D+00
      3  -0.493095D+01 -0.391818D+00 -0.919463D+01  0.341558D+01  0.156774D+02
               111           112           113           114           115 
      1   0.631998D+01  0.138669D+02 -0.822074D+00 -0.157013D+02  0.668205D+01
      2   0.120923D+01  0.583491D+01 -0.886641D+00 -0.675893D+01  0.153445D+02
      3  -0.418400D+00  0.200804D+02  0.125401D+02 -0.292652D+01  0.741373D+00
               116           117           118           119           120 
      1  -0.494397D+01 -0.536555D+00 -0.456417D+00  0.447418D+00  0.180916D+00
      2  -0.176360D+01 -0.203573D+00  0.138988D+01  0.438039D+00  0.302778D+01
      3  -0.311561D+01 -0.393839D+01  0.705130D+01 -0.142509D+01 -0.119544D+00
               121           122           123           124           125 
      1   0.747083D+00 -0.404656D+01 -0.208159D+01  0.232291D+00  0.752279D+00
      2   0.115248D+01  0.190993D+01 -0.500154D+01  0.224218D+01 -0.278568D+01
      3  -0.140243D+01  0.242652D+02 -0.327629D+01  0.663378D+00 -0.244036D+01
               126           127           128           129           130 
      1   0.435985D+00 -0.315039D+01  0.358032D+01 -0.151688D+00  0.345936D+01
      2   0.161178D+01 -0.113255D+02  0.196748D+01  0.623818D+01  0.175995D+01
      3   0.254439D+01  0.856774D+01 -0.848006D+01  0.150879D+01 -0.699604D+01
               131           132           133           134           135 
      1  -0.643787D+00 -0.304627D+00 -0.102510D+01  0.749512D+00 -0.107968D+01
      2  -0.115804D+01 -0.347039D+01  0.236200D+01 -0.116330D+01  0.515906D+00
      3   0.139090D+01 -0.171133D+01  0.100846D+01 -0.159564D+01  0.228694D+01
               136           137           138           139           140 
      1  -0.166719D+01 -0.240235D+01  0.690010D+00 -0.804829D+00 -0.636117D+00
      2   0.759616D+01  0.183250D+01 -0.146191D+02  0.154223D+01  0.443897D+01
      3   0.217501D+01  0.175003D+01 -0.797847D+00  0.140555D+01  0.342655D+00
               141           142           143           144           145 
      1   0.135592D+01  0.143803D-01  0.399484D+01 -0.276614D+01  0.267627D+01
      2  -0.722599D+01 -0.644074D+01 -0.378574D+01  0.308908D+02 -0.812624D+00
      3  -0.423326D+01  0.553611D+00 -0.310026D+01  0.372710D+01 -0.462870D+01
               146           147           148           149           150 
      1   0.773782D+00  0.363770D+00  0.116430D+01  0.142692D+02 -0.999387D+00
      2  -0.116159D+01 -0.129900D+01 -0.552129D+00  0.221264D+01  0.560726D+01
      3  -0.155143D+01 -0.739648D+00 -0.632069D+00 -0.280614D+02 -0.358354D+01
               151           152           153           154           155 
      1   0.522950D+00  0.686604D+00  0.127834D+01 -0.616948D+01 -0.333346D+01
      2  -0.112323D+01  0.209480D+01  0.149781D+01  0.698585D+01  0.994597D+00
      3  -0.188575D+01  0.497701D+00 -0.288392D+01 -0.140005D+02 -0.238645D+02
               156           157           158           159           160 
      1  -0.212855D+01 -0.941358D+01 -0.250191D+01  0.537436D+00 -0.446601D+00
      2   0.237304D+02 -0.512822D+01  0.155875D+01  0.792516D+01  0.724845D+01
      3   0.178217D+00 -0.181581D+02 -0.146690D+02  0.208968D+01  0.121253D+01
               161           162           163           164           165 
      1   0.336703D+01 -0.840602D+00 -0.812771D+01 -0.182442D+01  0.163626D+00
      2   0.278470D+01  0.329866D+00  0.122776D+02  0.318885D+01  0.191691D+01
      3   0.233363D+01 -0.322972D+01 -0.104787D+02 -0.385745D+01  0.700364D+00
               166           167           168           169           170 
      1  -0.546915D+01  0.196482D+01  0.438517D+01  0.228126D+01  0.828095D+01
      2   0.377034D+01 -0.598092D+01  0.114243D+01 -0.822431D+01 -0.306761D+01
      3  -0.251001D+01  0.232780D+01  0.739515D+01 -0.842007D+00  0.338974D+01
               171           172           173           174           175 
      1  -0.359802D+01  0.706498D+01  0.139593D+01 -0.265855D+01  0.571071D+01
      2  -0.258320D+02 -0.231495D+02 -0.306582D+01 -0.663585D+01 -0.401321D+01
      3   0.418293D+01  0.104509D+02  0.220607D+01  0.178462D+00  0.606541D+01
               176           177           178           179           180 
      1  -0.744430D+00 -0.247082D+01 -0.315681D+01 -0.561451D+00  0.110067D+01
      2  -0.298209D+01 -0.186853D+01 -0.970229D+00 -0.316645D+00 -0.309982D+01
      3   0.103907D+01  0.143530D+01 -0.357758D+01 -0.365179D+00  0.166222D+01
               181           182           183           184           185 
      1   0.215855D+00 -0.397847D+01 -0.385390D+01 -0.660287D-01  0.125419D+01
      2   0.249251D+01  0.149146D+01  0.726098D+01  0.128828D+01  0.204363D+01
      3   0.160265D+02  0.100344D+02 -0.110979D+01 -0.164383D+02  0.727291D+01
               186           187           188           189           190 
      1  -0.137231D+01 -0.133259D+02  0.758748D+01 -0.260250D+01 -0.226442D+01
      2   0.216787D+01 -0.202428D+01  0.120006D+02  0.119689D+00  0.123117D+02
      3  -0.198547D+01  0.202673D+01 -0.489847D+00  0.128889D+01  0.258085D+02
               191           192           193           194           195 
      1  -0.520182D+01  0.101779D+01 -0.506118D+01 -0.121529D+01  0.241146D+01
      2   0.443811D+01 -0.172450D+01  0.680526D+01  0.246303D+01  0.328471D+00
      3   0.252205D+02 -0.405522D+00  0.525603D+02  0.107119D+02  0.277915D+01
               196           197           198           199           200 
      1   0.145851D+00  0.142499D+02 -0.171653D+01  0.560396D+00  0.491082D+01
      2   0.187429D+01 -0.490224D+01  0.212197D+01 -0.110967D+02 -0.624277D+01
      3  -0.377592D+01  0.280574D+01 -0.105148D+01 -0.540089D+01 -0.462394D+02
               201           202           203           204           205 
      1  -0.489490D+00  0.172889D+01  0.189602D+01 -0.235519D+01  0.575943D+01
      2   0.297016D+01 -0.653112D+01 -0.444855D+01 -0.320357D+01 -0.206351D+02
      3   0.343011D+01 -0.788363D+01 -0.128305D+02  0.174100D+01  0.219044D+01
               206           207           208           209           210 
      1   0.120670D+01  0.939232D+00  0.188819D+01  0.438383D+01 -0.115529D+01
      2  -0.171231D+02  0.186844D+01 -0.360580D+01 -0.392379D+01  0.151597D+02
      3   0.366141D+00  0.860999D+01 -0.127053D+02 -0.437611D+02  0.163823D+01
               211           212           213           214           215 
      1  -0.587712D+00 -0.155446D+01 -0.434883D+01 -0.295052D+01 -0.158297D+01
      2  -0.260707D+00  0.274382D+01  0.424285D+01 -0.616039D+01 -0.194083D+01
      3  -0.151478D+01  0.145704D+02 -0.197893D+01 -0.785886D+00 -0.487902D+01
               216           217           218           219           220 
      1   0.218834D+00  0.422063D+00 -0.178283D+01  0.127577D+01 -0.109539D+01
      2   0.872327D+00  0.693843D-01  0.459729D+01 -0.651060D+01  0.460094D+01
      3   0.383718D+01 -0.284725D+02  0.162558D+02 -0.580821D+01  0.357916D+02
               221           222           223           224           225 
      1  -0.744767D+00  0.253710D+01  0.123802D+02  0.490626D+01 -0.138712D+01
      2  -0.581485D+01 -0.378720D+02 -0.258364D+02 -0.289087D+02  0.739982D+01
      3   0.224719D+02  0.800374D+01 -0.507876D+01  0.584521D+01  0.290954D+02
               226           227           228           229           230 
      1   0.135644D+00 -0.166596D+00  0.923128D+00  0.233888D-01 -0.646576D+00
      2  -0.713398D+00  0.839158D+00  0.956909D-01  0.383066D+00 -0.215935D+01
      3  -0.619258D+01  0.453027D+01 -0.989963D+00  0.364280D+01 -0.211168D+02
               231           232           233           234           235 
      1  -0.451802D+01 -0.932457D-01  0.270535D+01  0.187065D+00 -0.115736D+01
      2   0.108122D+01  0.189704D+00 -0.247881D+00  0.107939D-01  0.239266D+01
      3   0.229381D+01 -0.965911D+00  0.303361D+01  0.966671D-01  0.521002D+01
               236           237           238           239           240 
      1  -0.353645D+00 -0.184626D+01  0.659127D-01 -0.162824D+00 -0.226190D+01
      2   0.371995D+00  0.220209D+01 -0.606981D-01  0.151514D+00  0.304836D+01
      3  -0.554685D+01  0.767969D+00 -0.594694D+01 -0.106419D+02  0.512353D-01
               241           242           243           244           245 
      1   0.233193D+01  0.724290D+00  0.296008D+00  0.117797D+00 -0.242850D+00
      2  -0.282736D+01  0.169015D+00 -0.678011D+00  0.592732D+00 -0.679596D+00
      3   0.173553D+01  0.560699D+00 -0.134818D+01  0.386039D+01 -0.248479D+01
               246           247           248           249           250 
      1   0.963999D+00 -0.332092D+00  0.649758D-01 -0.396804D+01 -0.283359D+00
      2   0.105552D+01 -0.806916D+00  0.275716D+01 -0.333377D+01 -0.152084D+01
      3   0.498766D+00 -0.222875D+01  0.213368D+02 -0.233279D+01  0.752390D+00
               251           252           253           254           255 
      1   0.162787D+01  0.333070D+00 -0.354577D+00  0.218884D+00 -0.123317D+00
      2  -0.127061D+00  0.346538D+00 -0.105873D+02 -0.282613D+01  0.334843D+01
      3  -0.238230D+01  0.333279D+00 -0.384859D+01 -0.266407D+01  0.271039D+01
               256           257           258           259           260 
      1   0.145473D+01  0.980646D+00 -0.257012D+01 -0.356580D+01  0.884739D+00
      2  -0.802139D+01 -0.959740D+01  0.156409D+02  0.190169D+02  0.156732D+02
      3  -0.125761D+02 -0.166625D+02  0.993115D+01  0.969669D+01  0.137984D+02
               261           262           263           264           265 
      1   0.422262D+01  0.121114D+01 -0.420154D-01  0.722007D+00 -0.359515D+00
      2  -0.322323D+02  0.669275D+01  0.634277D-01 -0.201923D+00  0.708761D+01
      3  -0.158850D+02 -0.375658D+01 -0.803037D+00 -0.294356D+00 -0.142171D+02
               266           267           268           269           270 
      1   0.113950D+01 -0.218392D+01 -0.179894D+01  0.183786D+01 -0.252665D+01
      2   0.134671D+02  0.185437D+02  0.143286D+02  0.171145D+02  0.254961D+02
      3  -0.250832D+02 -0.153344D+02 -0.854192D+01 -0.167180D+02 -0.182960D+02
               271           272           273           274           275 
      1  -0.110824D+01  0.817777D+00  0.423137D+00  0.768849D+00 -0.763640D+00
      2   0.402731D+01 -0.130849D+01  0.874833D+01 -0.226727D+01  0.176730D+01
      3   0.235350D+02 -0.135289D+02  0.247358D+01 -0.172106D+02  0.139625D+02
               276           277           278           279 
      1  -0.991531D+00 -0.109373D+01  0.443607D+00  0.636601D-01
      2  -0.337506D+01  0.899703D+01 -0.166891D+00  0.209151D+01
      3  -0.263414D+01  0.283578D+01 -0.262068D+01  0.262536D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.898459D+02 -0.384917D+02 -0.166808D+01  0.935432D+02 -0.816563D+01
      2   0.413957D+02  0.204238D+02  0.108388D+01 -0.432060D+02  0.107190D+02
      3   0.484503D+02  0.180679D+02  0.584201D+00 -0.503372D+02 -0.255335D+01
      4  -0.318442D+02  0.236492D+01 -0.200148D+01 -0.354967D+01  0.781080D+01
      5   0.143747D+01 -0.165594D+01  0.101623D+01 -0.316571D+01 -0.292916D+01
      6   0.150501D+01  0.184756D+01  0.690205D+00 -0.347744D+01 -0.321486D+01
                 6             7             8             9            10 
      1   0.665122D+01 -0.192951D+02 -0.307027D+01 -0.113906D+02  0.758602D+02
      2  -0.474818D+01  0.840044D+01  0.106813D+01 -0.108391D+01 -0.255411D+02
      3  -0.190304D+01  0.108946D+02  0.200214D+01  0.124745D+02 -0.503191D+02
      4  -0.124600D+01 -0.216995D+01 -0.616653D+00  0.296233D+00  0.915283D+01
      5  -0.657669D+00  0.146800D+01  0.173840D+01 -0.150418D+01  0.187778D+01
      6  -0.241999D-01 -0.255152D+01  0.308516D+01  0.562251D+00 -0.521173D+01
                11            12            13            14            15 
      1  -0.301022D+01  0.720416D+01 -0.109770D+03 -0.202812D+02 -0.664154D+01
      2   0.364210D+01 -0.231205D+01  0.479856D+02  0.182965D+02  0.113378D+01
      3  -0.631874D+00 -0.489211D+01  0.617846D+02  0.198475D+01  0.550776D+01
      4  -0.380556D+01  0.418499D+00 -0.172074D+02 -0.143780D+02  0.357966D+00
      5  -0.188307D+01 -0.695818D+01  0.506773D+01  0.230087D+01  0.218653D+00
      6  -0.943187D+00 -0.487747D+00  0.236744D+01  0.394430D+00 -0.408513D+00
                16            17            18            19            20 
      1   0.192349D+02  0.102232D+01 -0.773790D+01  0.674713D+02  0.422061D+02
      2  -0.712063D+01 -0.156213D+01 -0.205035D+01 -0.249393D+02 -0.255222D+02
      3  -0.121143D+02  0.539804D+00  0.978826D+01 -0.425320D+02 -0.166839D+02
      4   0.294331D+01  0.648533D+00 -0.181249D+01  0.357928D+02 -0.753852D+01
      5  -0.648789D+00 -0.194790D+01 -0.193117D+01 -0.430600D+01  0.113735D+01
      6  -0.204314D+01  0.291225D+01  0.152285D+01 -0.443423D+01 -0.508414D+01
                21            22            23            24            25 
      1   0.456516D+01 -0.974908D+01  0.230265D+02 -0.139361D+01  0.857789D+01
      2  -0.150994D+01  0.202356D+02 -0.279490D+02  0.448246D+01 -0.484021D+01
      3  -0.305522D+01 -0.104865D+02  0.492253D+01 -0.308885D+01 -0.373769D+01
      4   0.204607D+01  0.167465D+02  0.240625D+01 -0.166327D+01  0.383563D+01
      5  -0.716137D+01 -0.107514D+01 -0.288807D+01 -0.836688D+01  0.106141D+02
      6   0.103211D+01 -0.504787D+01  0.454979D+01  0.505145D+01 -0.215131D+01
                26            27            28            29            30 
      1   0.444080D+01 -0.131493D+02  0.237380D+01 -0.241403D+01 -0.538135D+01
      2   0.334094D+01 -0.864089D+00 -0.268707D+02  0.134632D+01  0.106955D+01
      3  -0.778174D+01  0.140134D+02  0.244969D+02  0.106771D+01  0.431180D+01
      4  -0.296424D+01 -0.500989D+01 -0.234530D+02  0.100179D+02 -0.129678D+00
      5  -0.910162D+01 -0.381993D+00  0.880335D+01  0.225587D+01  0.115751D+02
      6   0.124503D+02 -0.290789D+01  0.733786D+01  0.293645D+01 -0.252098D+01
                31            32            33            34            35 
      1  -0.500239D+02 -0.588136D+02  0.577078D+01 -0.902739D+00  0.402137D+01
      2   0.395143D+02  0.503432D+02 -0.630725D+01 -0.504764D+01 -0.509439D+01
      3   0.105097D+02  0.847039D+01  0.536478D+00  0.595038D+01  0.107302D+01
      4  -0.318173D+02 -0.746710D+00 -0.115558D+01  0.518249D+01 -0.419132D+00
      5   0.567923D+01 -0.764320D+00  0.370010D+01  0.347468D+02  0.374680D+01
      6  -0.402182D+01  0.116123D+01 -0.346315D+01 -0.451352D+01  0.287070D+01
                36            37            38            39            40 
      1  -0.133838D+01 -0.163751D+02 -0.571010D+02  0.306988D+01  0.363350D+02
      2  -0.105097D+02  0.933369D+01  0.435765D+02 -0.202357D+01 -0.404441D+02
      3   0.118481D+02  0.704139D+01  0.135245D+02 -0.104632D+01  0.410911D+01
      4  -0.261572D+01 -0.955151D+01 -0.776387D+01 -0.393052D+00  0.800566D+01
      5   0.112247D+01  0.149254D+01 -0.322366D+01  0.617755D+01  0.315341D+01
      6   0.212443D+01 -0.336120D+01  0.256455D+01  0.721761D+01  0.843707D+01
                41            42            43            44            45 
      1   0.347458D+02 -0.469739D+01 -0.779722D+01 -0.122797D+02 -0.932444D+01
      2  -0.315137D+02  0.178862D+01  0.716781D+01  0.844573D+01 -0.650074D+00
      3  -0.323212D+01  0.290877D+01  0.629407D+00  0.383401D+01  0.997452D+01
      4  -0.137133D+02  0.350454D+01 -0.216174D+01  0.215694D+01  0.915842D+01
      5   0.499074D+01  0.614912D+01  0.166813D+02  0.583201D+01  0.270278D+00
      6  -0.830972D+00  0.197769D+01  0.192930D+02  0.761010D+01  0.538683D+01
                46            47            48            49            50 
      1   0.220047D+02  0.383675D+02  0.593057D+00 -0.180162D+02 -0.671775D+00
      2  -0.191848D+02 -0.299421D+02 -0.134076D+00  0.127097D+02 -0.118382D+02
      3  -0.281988D+01 -0.842541D+01 -0.458981D+00  0.530646D+01  0.125099D+02
      4  -0.418021D-01 -0.367746D+01  0.709901D+00  0.583888D+01  0.106241D+02
      5  -0.467968D+01  0.301987D+01 -0.123423D+01 -0.265928D+00 -0.701685D+00
      6   0.361366D+01 -0.518824D+01 -0.491716D+01 -0.488787D-02  0.740055D+01
                51            52            53            54            55 
      1  -0.437276D+01  0.633278D+01 -0.745851D+00 -0.227276D+02  0.273805D+02
      2   0.461650D+01 -0.519869D+01  0.405967D+01  0.116745D+02 -0.193470D+02
      3  -0.243742D+00 -0.113409D+01 -0.331382D+01  0.110531D+02 -0.803344D+01
      4  -0.129962D+01 -0.176143D+00 -0.413283D+01 -0.251910D+01  0.222240D+02
      5  -0.295447D+00  0.315956D+01  0.891147D+00 -0.234854D+01  0.286876D+01
      6   0.647271D+01 -0.266795D+01  0.228281D+02 -0.256934D+01  0.215894D+01
                56            57            58            59            60 
      1   0.484282D+02 -0.728833D+00  0.626074D+01  0.228123D+02 -0.459505D+01
      2  -0.314209D+02 -0.230450D+00  0.141285D+01 -0.229860D+02  0.550962D+01
      3  -0.170074D+02  0.959283D+00 -0.767359D+01  0.173719D+00 -0.914577D+00
      4  -0.387943D+02  0.412706D+01  0.288920D+02  0.162218D+02  0.156461D+01
      5   0.521677D+01 -0.954249D+01 -0.297355D+01  0.897558D+00  0.433484D+01
      6  -0.163685D+01 -0.530795D+01 -0.667589D+00  0.614636D+01  0.555225D+01
                61            62            63            64            65 
      1   0.283711D+01 -0.200654D+01 -0.207138D+02 -0.114084D+01  0.290091D+01
      2  -0.203608D+01  0.731400D+01  0.883733D+01  0.406499D+01 -0.415739D+01
      3  -0.801033D+00 -0.530746D+01  0.118765D+02 -0.292415D+01  0.125647D+01
      4  -0.271190D+01 -0.377390D+01  0.138456D+02 -0.534551D+01  0.986955D+01
      5   0.176792D+01  0.167819D+02 -0.715702D+01  0.130235D+01 -0.175251D+01
      6   0.220596D+01  0.221102D+02 -0.447296D+01 -0.196854D+01  0.175880D+01
                66            67            68            69            70 
      1  -0.350139D+00  0.791204D+01 -0.330609D+02  0.496865D+01  0.785321D-01
      2   0.279425D+00 -0.107963D+02  0.397951D+02 -0.394801D+01  0.241767D+00
      3   0.707145D-01  0.288431D+01 -0.673421D+01 -0.102064D+01 -0.320299D+00
      4  -0.141031D+01  0.104711D+02 -0.186552D+02  0.248199D+01 -0.157811D+01
      5   0.138113D+01 -0.196029D+01  0.165486D+01 -0.205426D+01  0.668232D-01
      6  -0.997744D+00  0.316837D+01 -0.987684D+01  0.673763D+01 -0.181859D+01
                71            72            73            74            75 
      1   0.350143D+01 -0.383933D+01  0.105444D+02 -0.599503D+00  0.233137D+00
      2  -0.367124D+01  0.397044D+01  0.682973D+00  0.788352D+01 -0.572875D+00
      3   0.169814D+00 -0.131111D+00 -0.112274D+02 -0.728402D+01  0.339738D+00
      4   0.274384D+01 -0.986878D+00  0.266922D+02  0.196096D+02  0.475242D-01
      5   0.219483D-01  0.670974D+00  0.258670D+01  0.319489D+00  0.452650D+01
      6   0.371026D+01 -0.204432D+01  0.191509D+01  0.925945D+00  0.255194D+01
                76            77            78            79            80 
      1  -0.351225D+01 -0.916215D+01 -0.686920D-01  0.202931D+01  0.838193D+00
      2   0.134235D+02  0.189590D+02 -0.132467D+00 -0.215697D+01 -0.121265D+01
      3  -0.991124D+01 -0.979687D+01  0.201159D+00  0.127664D+00  0.374458D+00
      4   0.260781D+02  0.261391D+02 -0.289506D+00 -0.141823D+01 -0.162342D+01
      5  -0.115062D+00 -0.184912D-01  0.332147D+01 -0.600705D-01  0.185838D+01
      6   0.844804D+00  0.147090D+01  0.412011D+01 -0.968273D+00  0.220356D+01
                81            82            83            84            85 
      1   0.445349D+00 -0.489460D+01  0.680392D+01 -0.123380D+01  0.269088D+01
      2   0.619489D+00  0.693778D+01 -0.924004D+01  0.114430D+01 -0.317119D+01
      3  -0.106484D+01 -0.204318D+01  0.243612D+01  0.895050D-01  0.480312D+00
      4   0.221732D+01 -0.272213D+01  0.115214D+02 -0.979492D+00  0.607943D+01
      5  -0.594130D+00 -0.396034D+00 -0.118157D+00  0.166833D+01 -0.179874D+00
      6  -0.719880D+00 -0.483078D+00  0.116050D+01 -0.133030D+01  0.447694D-01
                86            87            88            89            90 
      1  -0.549456D+02  0.532851D+01 -0.131567D+01  0.661283D+01 -0.310397D+01
      2   0.724841D+02 -0.591724D+01  0.122600D+01 -0.783604D+01  0.350599D+01
      3  -0.175385D+02  0.588732D+00  0.896724D-01  0.122320D+01 -0.402023D+00
      4  -0.905024D+01  0.545685D+00 -0.664019D+00  0.152373D+01 -0.150335D+01
      5  -0.183814D+01 -0.454120D+00  0.842349D+00 -0.109454D+01  0.433104D+00
      6  -0.454182D+01  0.782186D+01  0.456904D+00  0.424175D+01 -0.169242D+01
                91            92            93            94            95 
      1  -0.171105D+02 -0.539763D+01  0.108416D+02 -0.647112D+01  0.155568D+02
      2   0.257609D+02  0.585529D+01  0.861518D+00  0.106220D+02 -0.207149D+02
      3  -0.865043D+01 -0.457666D+00 -0.117031D+02 -0.415088D+01  0.515810D+01
      4   0.125918D+00  0.183140D+01 -0.454552D+01 -0.261731D+01  0.392292D+02
      5  -0.639439D+00 -0.591802D+01 -0.240907D+02 -0.229710D+02 -0.499978D+01
      6  -0.620402D+01 -0.213016D+01 -0.930106D+00  0.322764D-01  0.984009D+01
                96            97            98            99           100 
      1  -0.131758D+02  0.881977D+01 -0.535627D+01 -0.251891D+02 -0.654720D+02
      2   0.148359D+02  0.185568D+01  0.516820D+01  0.183724D+02  0.367746D+02
      3  -0.166012D+01 -0.106754D+02  0.188067D+00  0.681674D+01  0.286975D+02
      4  -0.465231D+01 -0.111827D+02 -0.416700D+01 -0.329669D+01  0.274910D+02
      5  -0.475698D+01 -0.650222D+02 -0.626553D+01 -0.373489D+01 -0.380679D+02
      6  -0.144449D+01 -0.578931D+00 -0.964795D+00 -0.467423D+01  0.131917D+02
               101           102           103           104           105 
      1   0.191558D+02 -0.345843D+02  0.372973D+02  0.592281D+00 -0.137269D+00
      2  -0.101041D+02  0.288855D+01 -0.286041D+02 -0.703128D+01 -0.113537D+02
      3  -0.905173D+01  0.316957D+02 -0.869317D+01  0.643900D+01  0.114910D+02
      4  -0.132213D+01  0.398515D+01 -0.565780D+01 -0.408789D+02 -0.226526D+01
      5   0.861444D+01  0.181695D+02  0.260266D+02 -0.919473D+00  0.190286D+02
      6  -0.267502D-01  0.556138D+00 -0.900614D-01 -0.176794D+02 -0.147159D+00
               106           107           108           109           110 
      1  -0.652617D+01 -0.296398D+01  0.384178D+02 -0.110498D+03 -0.148059D+02
      2  -0.141058D+02 -0.496929D+01 -0.115514D+02  0.498933D+02  0.296169D+01
      3   0.206320D+02  0.793327D+01 -0.268664D+02  0.606047D+02  0.118443D+02
      4   0.618556D+01  0.209087D+01  0.145876D+02 -0.222558D+02 -0.187802D+02
      5   0.439258D+02  0.142578D+02  0.125743D+02  0.232858D+02  0.826223D+01
      6   0.434492D+01  0.185491D+01  0.117520D+02  0.657160D+01  0.137430D+01
               111           112           113           114           115 
      1   0.118898D+02 -0.291363D+02 -0.114925D+02  0.828646D+01 -0.326051D+02
      2  -0.588086D+01  0.875610D+01  0.113815D+02 -0.432820D+01  0.251012D+02
      3  -0.600890D+01  0.203802D+02  0.110999D+00 -0.395825D+01  0.750392D+01
      4   0.544603D+01  0.210193D+01 -0.178538D+02  0.445104D+00  0.706277D+01
      5  -0.725940D+01  0.172516D+02  0.238897D+01 -0.397833D+01  0.329717D+02
      6  -0.316438D+01  0.245624D+01  0.985137D+00  0.806936D+00  0.454801D+00
               116           117           118           119           120 
      1   0.572908D+01  0.300614D+02 -0.710823D+01 -0.634983D+01 -0.409911D+00
      2  -0.255424D+01 -0.871261D+01  0.872388D+01  0.236829D+01  0.206044D+00
      3  -0.317484D+01 -0.213488D+02 -0.161565D+01  0.398154D+01  0.203867D+00
      4  -0.364736D+00  0.262446D+01 -0.918178D+01  0.749990D+01 -0.714687D+00
      5   0.359361D+01 -0.809084D+01  0.545931D+00 -0.117314D+01  0.701830D+01
      6  -0.489626D+01 -0.387222D+01 -0.250861D+01  0.812571D+00 -0.192146D+00
               121           122           123           124           125 
      1  -0.858514D+01 -0.181914D+02  0.592926D+01 -0.224980D+01  0.217232D+01
      2  -0.212652D+00  0.303467D+02 -0.478560D+01  0.161737D+01 -0.654956D+00
      3   0.879779D+01 -0.121553D+02 -0.114366D+01  0.632436D+00 -0.151736D+01
      4   0.166268D+02 -0.470019D+02  0.607249D+01 -0.516207D+00  0.447649D+01
      5  -0.124360D+01  0.574344D+01 -0.115448D+02  0.932746D+01 -0.601623D+01
      6   0.232875D+01 -0.111058D+02  0.621223D+01 -0.205533D+01  0.660463D+01
               126           127           128           129           130 
      1  -0.740326D+00  0.109342D+03 -0.136009D+02  0.213338D+02 -0.259872D+02
      2   0.549139D+00 -0.663161D+02  0.694925D+01 -0.179012D+02  0.153446D+02
      3   0.191187D+00 -0.430255D+02  0.665170D+01 -0.343256D+01  0.106426D+02
      4  -0.638407D+01 -0.210070D+02  0.151690D+02 -0.411112D+01  0.213080D+02
      5   0.485692D+01  0.633449D+02 -0.663445D+01  0.286335D+02 -0.185749D+02
      6  -0.242566D+01 -0.801765D+01  0.598519D+01 -0.195661D+01  0.784314D+01
               131           132           133           134           135 
      1   0.115959D+02 -0.388030D+01  0.937910D+01 -0.511819D+00  0.671690D+01
      2  -0.453115D+01  0.554269D+01 -0.900948D+01  0.175537D+01 -0.772790D+01
      3  -0.706476D+01 -0.166239D+01 -0.369620D+00 -0.124355D+01  0.101100D+01
      4  -0.538457D+01  0.517440D+01 -0.258533D+01  0.160989D+01 -0.473607D+01
      5   0.730927D+01 -0.110735D+02  0.178254D+02 -0.476694D+01  0.956062D+01
      6  -0.184697D+01  0.326206D+01 -0.248901D+01  0.134871D+01 -0.216427D+01
               136           137           138           139           140 
      1  -0.593329D+01 -0.471251D+01  0.240391D+02 -0.675726D+01 -0.730305D+01
      2  -0.114486D+01  0.133991D+01  0.210810D+01  0.465101D+01  0.126736D+01
      3   0.707815D+01  0.337259D+01 -0.261472D+02  0.210625D+01  0.603569D+01
      4  -0.358006D+01 -0.296978D+01  0.128503D+01  0.169935D+01 -0.506833D+00
      5   0.165304D+01 -0.899314D+00 -0.123023D+02 -0.515411D+01  0.559434D+01
      6  -0.243954D+01 -0.358894D+01  0.245411D+01  0.397001D-01 -0.276638D+01
               141           142           143           144           145 
      1   0.775420D+01  0.977680D+01  0.419220D+01 -0.414101D+02  0.960399D+01
      2   0.299410D+01 -0.295385D+01  0.168492D+01 -0.143134D+02 -0.298460D+01
      3  -0.107483D+02 -0.682295D+01 -0.587711D+01  0.557235D+02 -0.661939D+01
      4   0.760986D+01 -0.349453D+00  0.630753D+01 -0.740833D+01  0.657421D+01
      5  -0.114945D+02  0.502672D+01 -0.504145D+01  0.402713D+02  0.505425D+01
      6   0.929673D+01 -0.342220D+00  0.707358D+01 -0.742962D+01  0.211726D+01
               146           147           148           149           150 
      1   0.573230D+01  0.481067D+01  0.119046D+02 -0.461939D+01 -0.146280D+01
      2  -0.205992D+01 -0.641759D+00 -0.589358D+01  0.141869D+02 -0.288214D+01
      3  -0.367239D+01 -0.416891D+01 -0.601101D+01 -0.956754D+01  0.434494D+01
      4   0.729641D+01  0.744109D+00  0.156922D+02  0.515553D+02  0.941529D+01
      5   0.241968D+01 -0.415110D+00  0.117622D+02  0.963416D+01  0.138149D+02
      6   0.183773D+01  0.725787D-01  0.603599D+01  0.245892D+02  0.825187D+01
               151           152           153           154           155 
      1  -0.965548D+00 -0.165752D+01 -0.561885D+01  0.208972D+03  0.226007D+02
      2   0.142791D+01 -0.984971D+00  0.165779D+01 -0.100768D+03 -0.871095D+01
      3  -0.462358D+00  0.264249D+01  0.396106D+01 -0.108204D+03 -0.138898D+02
      4   0.412781D+00  0.710516D+00  0.476715D+01  0.230071D+02  0.364293D+02
      5  -0.656587D+00  0.477766D+01  0.700276D+00 -0.413028D+02 -0.506844D+01
      6   0.107415D+01  0.471793D+01  0.207440D+01 -0.495239D+01 -0.505440D+01
               156           157           158           159           160 
      1  -0.117147D+02  0.341804D+02  0.344155D+02 -0.308563D+01 -0.116715D+02
      2   0.108491D+02 -0.149688D+02 -0.130302D+02  0.285984D+01  0.103944D+02
      3   0.865552D+00 -0.192116D+02 -0.213852D+02  0.225792D+00  0.127713D+01
      4  -0.195904D+01  0.489517D+02  0.258127D+02 -0.403553D+01 -0.340283D+01
      5   0.404035D+02 -0.108281D+02 -0.872666D+01  0.104950D+02  0.372490D+02
      6  -0.249697D+00 -0.966732D+01 -0.494556D+01  0.519959D+01  0.232581D+01
               161           162           163           164           165 
      1  -0.183329D+01  0.199950D+02  0.616222D+02  0.504154D+01 -0.167485D+02
      2   0.147766D+01 -0.145359D+02 -0.437624D+02 -0.155198D+01  0.111716D+02
      3   0.355623D+00 -0.545906D+01 -0.178598D+02 -0.348957D+01  0.557698D+01
      4  -0.260951D+01  0.478347D+01 -0.221125D+01  0.769339D+01  0.440593D+01
      5   0.665483D+01 -0.796290D+01 -0.409371D+02  0.205982D+01  0.205123D+02
      6   0.469994D+01 -0.160270D+01  0.157172D+01 -0.163200D+01 -0.185686D+01
               166           167           168           169           170 
      1   0.157732D+02 -0.822088D+01 -0.378839D+01  0.806321D+01 -0.295355D+01
      2  -0.881544D+01  0.288346D+01  0.288346D+01 -0.194479D+01  0.379922D+00
      3  -0.695776D+01  0.533742D+01  0.904930D+00 -0.611842D+01  0.257363D+01
      4   0.428459D+01 -0.446483D+01 -0.117198D+02  0.570727D+01 -0.645691D+01
      5  -0.606545D+01 -0.112841D+02  0.198544D+00  0.144132D+02 -0.725514D+01
      6  -0.136357D+01  0.443518D+01  0.122637D+02 -0.380941D+01  0.120796D+02
               171           172           173           174           175 
      1  -0.365202D+02 -0.540607D+02 -0.624004D+01 -0.663911D+01 -0.100488D+02
      2  -0.103584D+02  0.352209D+02  0.269081D+01 -0.566737D+01  0.632532D+01
      3   0.468786D+02  0.188398D+02  0.354923D+01  0.123065D+02  0.372346D+01
      4  -0.899626D+01  0.274122D+01 -0.487067D+01 -0.376192D+01  0.932622D+00
      5  -0.442751D+02  0.307313D+02 -0.220942D+01 -0.176993D+02  0.349242D+01
      6   0.103026D+02 -0.726459D+00  0.443988D+01  0.486980D+01  0.250621D+00
               176           177           178           179           180 
      1  -0.653686D+01 -0.259305D+01  0.117984D+02 -0.784725D+00 -0.105738D+02
      2   0.416522D+01  0.692641D+00 -0.139854D+02  0.286187D+00  0.575019D+01
      3   0.237164D+01  0.190041D+01  0.218702D+01  0.498539D+00  0.482359D+01
      4  -0.264268D+01 -0.363066D+01 -0.254191D+01  0.718144D+00  0.924689D+00
      5  -0.267270D+01 -0.280206D+01 -0.148576D+02  0.465909D+00  0.385941D+01
      6   0.283573D+01  0.410274D+01  0.363176D+01  0.944578D+00  0.148856D+00
               181           182           183           184           185 
      1  -0.617798D+01 -0.487316D+02  0.294129D+01  0.101016D+03  0.199773D+02
      2   0.493458D+01  0.350940D+02 -0.680060D+00 -0.680744D+02 -0.188021D+02
      3   0.124340D+01  0.136376D+02 -0.226123D+01 -0.329414D+02 -0.117516D+01
      4  -0.130435D+02  0.436009D+02 -0.653762D+01  0.110511D+02 -0.355769D+02
      5  -0.562631D+01 -0.859774D+01  0.160739D+02  0.640600D+01  0.667382D+01
      6  -0.374196D+01 -0.321306D+01  0.805536D+01  0.610905D+01  0.268924D+01
               186           187           188           189           190 
      1   0.451107D+01 -0.154016D+02 -0.783370D+01  0.488831D+01  0.122291D+03
      2  -0.272105D+01  0.134537D+02  0.648822D+01 -0.893178D+01 -0.608862D+02
      3  -0.179002D+01  0.194798D+01  0.134547D+01  0.404346D+01 -0.614049D+02
      4   0.762061D+01 -0.178798D+01  0.109236D+02  0.183112D+02  0.493797D+01
      5   0.660410D+01  0.323932D+02  0.169909D+02 -0.263388D+01 -0.338832D+01
      6   0.310455D+01  0.170673D+02  0.803981D+01  0.271546D+01 -0.177696D+01
               191           192           193           194           195 
      1   0.227088D+02  0.444444D+01 -0.469436D+02 -0.162845D+02  0.119449D+01
      2  -0.116941D+02 -0.815463D+00  0.404908D+02  0.229242D+02 -0.297872D+01
      3  -0.110147D+02 -0.362898D+01  0.645278D+01 -0.663970D+01  0.178423D+01
      4   0.316750D+02 -0.281592D+01 -0.107945D+02  0.569122D+02 -0.755393D+01
      5  -0.256365D+01 -0.153307D+01  0.473718D+01 -0.635059D+01  0.682430D+00
      6  -0.215268D+01 -0.209234D+01 -0.675722D+01 -0.379422D+01 -0.245319D+01
               196           197           198           199           200 
      1   0.615425D+01  0.613406D+01  0.268583D+02 -0.118933D+03 -0.111970D+02
      2  -0.578469D+01 -0.537082D+01 -0.235525D+02  0.474325D+02  0.239868D+01
      3  -0.369561D+00 -0.763242D+00 -0.330581D+01  0.715006D+02  0.879831D+01
      4   0.781774D+01 -0.373049D+01 -0.167035D+01 -0.140912D+02 -0.300866D+02
      5   0.536502D+02  0.311724D+01  0.370769D+01 -0.203502D+01  0.671874D+01
      6  -0.218748D+01  0.281614D+01  0.163140D+01  0.655292D+01 -0.153413D-02
               201           202           203           204           205 
      1  -0.570697D+01 -0.753552D+02 -0.267544D+01 -0.647728D+01 -0.303701D+00
      2   0.261262D+01  0.457719D+02 -0.126083D+02  0.570360D+01 -0.229369D+01
      3   0.309435D+01  0.295832D+02  0.152837D+02  0.773685D+00  0.259739D+01
      4   0.492607D+01  0.249981D+00 -0.178995D+02 -0.173745D+01  0.147917D+01
      5   0.340497D+01 -0.215265D+01 -0.247270D+01 -0.768114D+01  0.205830D+01
      6   0.360087D+00 -0.107309D+01  0.629684D+01  0.396545D+01 -0.313882D+01
               206           207           208           209           210 
      1  -0.914611D-01 -0.201103D+02  0.577695D+01 -0.277922D+02 -0.236341D+00
      2   0.451974D+01  0.452300D+01 -0.605929D+01  0.143276D+02 -0.162228D+01
      3  -0.442828D+01  0.155873D+02  0.282339D+00  0.134646D+02  0.185862D+01
      4  -0.737980D+01 -0.231722D+02 -0.252768D+02  0.937520D+01  0.471705D+00
      5  -0.253553D+02  0.369557D+01  0.398718D+01  0.106170D+01  0.300260D+02
      6   0.167406D+02 -0.131718D+01  0.502661D+00  0.206258D+01  0.269615D+01
               211           212           213           214           215 
      1   0.125130D+02  0.146910D+02 -0.208645D+01 -0.214485D+01 -0.314531D+01
      2  -0.124284D+02 -0.458706D+01  0.168592D+01 -0.666489D-01  0.253665D+01
      3  -0.846420D-01 -0.101039D+02  0.400531D+00  0.221150D+01  0.608654D+00
      4   0.422375D+02 -0.199872D+02  0.468937D+01 -0.477726D+01  0.103186D+01
      5  -0.502703D+01  0.275170D+01  0.722135D+01  0.898637D+01 -0.660124D+01
      6   0.211369D+01 -0.343129D+00  0.764657D+01 -0.402547D+01  0.473459D+01
               216           217           218           219           220 
      1  -0.118614D+01 -0.344394D+02  0.537872D+02 -0.544595D+01  0.397407D+02
      2   0.444778D+00  0.204469D+02 -0.274998D+02  0.313913D+01 -0.161974D+02
      3   0.741357D+00  0.139925D+02 -0.262873D+02  0.230681D+01 -0.235433D+02
      4  -0.756138D+01  0.529557D+02 -0.722628D+01  0.793071D+01 -0.470000D+02
      5   0.364569D+01 -0.628656D+01  0.823266D+01 -0.185790D+02  0.114991D+02
      6  -0.167975D+01  0.313055D+01 -0.234105D+00 -0.278828D+01 -0.349461D+01
               221           222           223           224           225 
      1  -0.199669D+02  0.149244D+02 -0.725033D+00  0.130274D+02 -0.143819D+02
      2   0.115287D+02 -0.654744D+01 -0.985099D+00 -0.634628D+01  0.855012D+01
      3   0.843815D+01 -0.837692D+01  0.171013D+01 -0.668115D+01  0.583182D+01
      4  -0.211970D+02 -0.139798D+02  0.108315D+02 -0.892996D+01 -0.504562D+02
      5  -0.129439D+02 -0.743480D+02 -0.408781D+02 -0.519210D+02  0.149414D+02
      6  -0.401453D+01 -0.141731D+02 -0.126285D+02 -0.106815D+02 -0.132505D+01
               226           227           228           229           230 
      1  -0.407948D+01  0.128718D+02 -0.188133D+01  0.154107D+01 -0.524698D+02
      2   0.559452D+01 -0.115716D+02  0.131338D+01 -0.373289D-01  0.665210D+02
      3  -0.151505D+01 -0.130020D+01  0.567948D+00 -0.150375D+01 -0.140512D+02
      4   0.306022D+01  0.541059D+01 -0.872763D-01  0.456624D+01  0.276491D+02
      5  -0.638404D+00  0.929409D-01  0.105527D+01 -0.409013D+00 -0.539881D+01
      6  -0.104318D+01  0.190603D+01 -0.129738D+01 -0.368422D+00 -0.101017D+02
               231           232           233           234           235 
      1   0.577911D+01 -0.626352D+00  0.663488D+01 -0.295972D+01  0.495704D+02
      2  -0.555830D+01  0.334626D+00 -0.713172D+01  0.315976D+01 -0.185365D+02
      3  -0.220815D+00  0.291726D+00  0.496849D+00 -0.200034D+00 -0.310340D+02
      4  -0.319232D+01  0.329371D-01 -0.297315D+01 -0.718015D+00  0.378708D+02
      5   0.305700D+01  0.152117D+01 -0.708285D-02 -0.116540D+00 -0.668330D+00
      6   0.794633D+01 -0.473920D-01  0.424422D+01 -0.179287D+01  0.153773D+00
               236           237           238           239           240 
      1   0.160158D+02  0.171977D+01  0.215210D+02  0.111648D+02 -0.344453D+00
      2  -0.138795D+01 -0.876106D+00  0.735717D+00  0.774949D+01  0.284043D+00
      3  -0.146279D+02 -0.843668D+00 -0.222567D+02 -0.189143D+02  0.604102D-01
      4   0.277704D+02 -0.530914D-01  0.410951D+02  0.393815D+02 -0.737827D+00
      5  -0.149667D+01  0.392258D+01 -0.336889D+01 -0.273610D+01  0.504516D+01
      6  -0.272899D+00  0.200247D+01 -0.141737D+01 -0.939261D+00  0.369668D+01
               241           242           243           244           245 
      1   0.212077D+01 -0.185997D+00 -0.113276D+01 -0.212730D+01 -0.538652D+01
      2  -0.203752D+01 -0.458605D+00  0.100975D+01  0.567904D+01 -0.179543D+01
      3  -0.832452D-01  0.644602D+00  0.123005D+00 -0.355174D+01  0.718195D+01
      4  -0.156052D+01 -0.168484D+01  0.206871D+01 -0.160708D+02  0.181596D+02
      5  -0.158098D+01  0.156193D+01 -0.738827D+00  0.120986D+01 -0.187104D+01
      6  -0.647446D+00  0.158113D+01 -0.511276D+00 -0.104378D+01  0.133924D+01
               246           247           248           249           250 
      1   0.227726D+00 -0.118150D+01 -0.214392D+02  0.251895D+01 -0.295360D+00
      2   0.213429D+00 -0.929321D+01  0.380896D+02 -0.322463D+01  0.848974D+00
      3  -0.441155D+00  0.104747D+02 -0.166504D+02  0.705684D+00 -0.553614D+00
      4  -0.264007D+01  0.254758D+02 -0.537607D+02  0.622811D+01 -0.350742D+01
      5   0.244509D+01 -0.213216D+01  0.367158D+01 -0.593583D+01  0.245000D+01
      6  -0.141003D+01  0.195117D+01 -0.536774D+01  0.684818D+01 -0.253274D+01
               251           252           253           254           255 
      1   0.171560D+01 -0.176986D+01  0.195434D+02  0.489014D+01 -0.170527D+02
      2  -0.327030D+01  0.301063D+01 -0.105272D+02 -0.218673D+01  0.846215D+01
      3   0.155470D+01 -0.124078D+01 -0.901620D+01 -0.270340D+01  0.859050D+01
      4   0.678272D+01 -0.242542D+01  0.630571D+01  0.471060D+01 -0.739220D+01
      5  -0.111753D+01  0.115292D+01 -0.206717D+02 -0.713000D+01  0.873567D+01
      6   0.366749D+01 -0.180786D+01 -0.292204D+01 -0.955580D+00  0.360598D+00
               256           257           258           259           260 
      1   0.235358D+02  0.127970D+02 -0.109447D+02 -0.572472D+02 -0.118818D+02
      2  -0.117434D+02 -0.447816D+01  0.465905D+01  0.330838D+02  0.612535D+01
      3  -0.117924D+02 -0.831884D+01  0.628560D+01  0.241634D+02  0.575647D+01
      4   0.288596D+02  0.252072D+02 -0.183850D+02 -0.230590D+02 -0.212210D+02
      5  -0.205331D+02 -0.191825D+02  0.311428D+02  0.490409D+02  0.290873D+02
      6  -0.420981D+01 -0.461585D+01  0.784381D+01  0.826325D+01  0.732335D+01
               261           262           263           264           265 
      1   0.197400D+02  0.414606D+01  0.520186D+01  0.137228D+02  0.263356D+02
      2  -0.169941D+02 -0.269830D+01 -0.248393D+01 -0.634842D+01 -0.135610D+02
      3  -0.274589D+01 -0.144777D+01 -0.271793D+01 -0.737440D+01 -0.127746D+02
      4   0.275986D+02  0.496012D+01  0.292087D+01  0.352954D+01  0.331707D+02
      5  -0.633618D+02  0.137704D+02  0.318028D+01  0.239149D+01  0.217063D+02
      6  -0.842616D+01  0.242302D+01  0.151635D+00 -0.482744D+00  0.783032D+01
               266           267           268           269           270 
      1   0.976847D+01  0.578855D+01  0.386506D+02  0.453493D+01  0.101924D+02
      2  -0.210656D+01 -0.346751D+01 -0.229064D+02 -0.362537D+01 -0.133538D+02
      3  -0.766190D+01 -0.232104D+01 -0.157441D+02 -0.909559D+00  0.316142D+01
      4   0.391601D+02  0.286026D+02  0.202604D+02  0.267892D+02  0.321087D+02
      5   0.280683D+02  0.373304D+02  0.400891D+02  0.325445D+02  0.499322D+02
      6   0.105567D+02  0.113860D+02  0.959799D+01  0.105681D+02  0.118969D+02
               271           272           273           274           275 
      1   0.171964D+03 -0.400086D+02  0.143123D+02 -0.809993D+02  0.302110D+02
      2  -0.884451D+02  0.200346D+02 -0.826960D+01  0.403415D+02 -0.135721D+02
      3  -0.835186D+02  0.199739D+02 -0.604273D+01  0.406578D+02 -0.166389D+02
      4  -0.485605D+02  0.233289D+02 -0.446337D+01  0.409314D+02 -0.287561D+02
      5   0.178169D+02 -0.431912D+01  0.175221D+02 -0.858635D+01  0.514768D+01
      6  -0.191042D+01  0.101155D+01 -0.936723D+00  0.193267D+01 -0.128888D+01
               276           277           278           279 
      1  -0.704548D+01  0.181362D+02 -0.466058D+01  0.176805D+02
      2   0.399823D+01 -0.107633D+02  0.270731D+01 -0.103678D+02
      3   0.304725D+01 -0.737294D+01  0.195326D+01 -0.731270D+01
      4   0.535626D+01 -0.560078D+01  0.453381D+01 -0.201974D+01
      5  -0.690110D+01  0.261315D+02 -0.177575D+01  0.556174D+01
      6   0.243053D+01 -0.186375D+01  0.290025D+01 -0.604904D+00
 Leave Link  716 at Thu Aug 12 21:41:37 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.322702D+03  0.156550D+02  0.121250D+02
      2   0.156550D+02  0.169419D+03 -0.392251D+01
      3   0.121250D+02 -0.392251D+01  0.119884D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.952400D+01  0.272912D+02  0.735497D+01
      2  -0.510314D+02  0.100908D+02  0.305718D+02
      3   0.976064D+01  0.585424D+02 -0.727191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.366876D+03 -0.124937D+02 -0.485511D+02
      2   0.147812D+03  0.172806D+02 -0.412032D+01
      3   0.219064D+03 -0.478689D+01  0.526714D+02
      4  -0.214662D+02 -0.146288D+03  0.231739D+02
      5   0.282878D+02  0.218218D+02  0.716359D+02
      6   0.618010D+01  0.450316D+02 -0.253926D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434617D+02  0.862708D+01  0.141279D+01 -0.480892D+02 -0.411622D+01
      2   0.862708D+01  0.355720D+01  0.282960D+00 -0.411622D+01 -0.536829D+01
      3   0.141279D+01  0.282960D+00 -0.396763D+00 -0.264241D+01  0.176118D+00
                 6             7             8             9            10 
      1  -0.264241D+01  0.799618D+01  0.121483D+01  0.181239D+01 -0.339747D+02
      2   0.176118D+00  0.121483D+01  0.649400D+00 -0.954623D+00 -0.757080D+01
      3  -0.925802D-01  0.181239D+01 -0.954623D+00  0.379379D+00 -0.922729D+00
                11            12            13            14            15 
      1  -0.757080D+01 -0.922729D+00  0.517699D+02  0.503452D+01  0.302189D+01
      2  -0.608313D+00 -0.363840D+00  0.503452D+01  0.632514D+01 -0.116320D+00
      3  -0.363840D+00 -0.236461D+00  0.302189D+01 -0.116320D+00 -0.314223D-01
                16            17            18            19            20 
      1  -0.834869D+01 -0.122882D+01 -0.901103D+00 -0.591470D+02 -0.107190D+02
      2  -0.122882D+01 -0.567286D+00  0.859940D+00 -0.107190D+02 -0.973263D+01
      3  -0.901103D+00  0.859940D+00 -0.129668D+00 -0.121303D+01  0.340840D+00
                21            22            23            24            25 
      1  -0.121303D+01 -0.193879D+02 -0.226544D+01  0.347189D+00 -0.283166D+01
      2   0.340840D+00 -0.226544D+01 -0.468235D+01 -0.625231D+00  0.310575D+00
      3  -0.850119D+00  0.347189D+00 -0.625231D+00 -0.225991D+01  0.104375D+01
                26            27            28            29            30 
      1   0.310575D+00  0.104375D+01  0.607551D+02  0.458516D+01  0.103942D+01
      2  -0.127374D+01 -0.386138D+01  0.458516D+01  0.639438D+01  0.159162D-01
      3  -0.386138D+01  0.122431D+01  0.103942D+01  0.159162D-01  0.252732D+01
                31            32            33            34            35 
      1   0.130937D+01  0.458377D+01  0.418661D+00  0.932369D+00  0.789008D+00
      2   0.458377D+01  0.146772D+02 -0.634659D+00  0.789008D+00 -0.251600D+00
      3   0.418661D+00 -0.634659D+00  0.510623D+00  0.702009D+01  0.662050D+00
                36            37            38            39            40 
      1   0.702009D+01  0.681878D+01 -0.109951D+01  0.347293D+00  0.130896D+02
      2   0.662050D+00 -0.109951D+01  0.128089D+02 -0.105660D+01  0.286045D+00
      3   0.742347D+00  0.347293D+00 -0.105660D+01  0.178669D+01  0.620211D+00
                41            42            43            44            45 
      1   0.286045D+00  0.620211D+00 -0.278103D+00  0.251296D+00  0.459290D+01
      2  -0.902498D+01  0.114825D+01  0.251296D+00  0.258854D+01  0.172510D+01
      3   0.114825D+01  0.112201D+01  0.459290D+01  0.172510D+01  0.666470D+00
                46            47            48            49            50 
      1  -0.887036D+01  0.294121D+01 -0.133067D+01  0.308510D+01  0.342974D+01
      2   0.294121D+01 -0.912983D+01  0.320562D+00  0.342974D+01  0.730718D+00
      3  -0.133067D+01  0.320562D+00 -0.104916D+01 -0.264356D+00  0.895431D+00
                51            52            53            54            55 
      1  -0.264356D+00 -0.104466D+01 -0.752628D+00 -0.771211D+00 -0.148934D+00
      2   0.895431D+00 -0.752628D+00  0.808519D-01  0.451560D+01 -0.353102D+01
      3   0.133757D+01 -0.771211D+00  0.451560D+01 -0.121151D+01  0.496512D+00
                56            57            58            59            60 
      1  -0.353102D+01  0.496512D+00 -0.464095D+01 -0.442153D+01  0.333766D+00
      2   0.619698D+01 -0.519856D+00 -0.442153D+01 -0.208543D+01 -0.696425D+00
      3  -0.519856D+00  0.152646D+01  0.333766D+00 -0.696425D+00 -0.130342D+01
                61            62            63            64            65 
      1   0.727966D+00  0.502781D+00 -0.422114D+00  0.408413D+00 -0.200603D+01
      2   0.502781D+00 -0.132783D+00 -0.427957D+01 -0.200603D+01  0.107140D+01
      3  -0.422114D+00 -0.427957D+01  0.127553D+01  0.302360D+00 -0.276993D+00
                66            67            68            69            70 
      1   0.302360D+00 -0.205494D+01  0.271546D+01 -0.501439D+00  0.517863D+00
      2  -0.276993D+00  0.271546D+01 -0.782033D+01  0.113557D+01 -0.531292D+00
      3   0.140476D+00 -0.501439D+00  0.113557D+01 -0.913673D+00 -0.456406D-01
                71            72            73            74            75 
      1  -0.531292D+00 -0.456406D-01  0.713597D+01  0.326672D+01  0.302588D+00
      2   0.100129D+01 -0.270434D+00  0.326672D+01  0.280857D+01 -0.198823D-01
      3  -0.270434D+00  0.218951D+00  0.302588D+00 -0.198823D-01  0.563802D+00
                76            77            78            79            80 
      1   0.450672D+01  0.420815D+01 -0.108289D+00  0.201312D+00 -0.388512D+00
      2   0.420815D+01  0.425333D+01 -0.763341D-03 -0.388512D+00 -0.283525D+00
      3  -0.108289D+00 -0.763341D-03  0.589555D+00 -0.331770D+00  0.290461D+00
                81            82            83            84            85 
      1  -0.331770D+00 -0.505484D+00  0.140962D+01 -0.197570D+00  0.574973D+00
      2   0.290461D+00  0.140962D+01 -0.157436D+01  0.250815D+00 -0.601734D+00
      3  -0.184584D+00 -0.197570D+00  0.250815D+00 -0.127837D+00  0.365696D-01
                86            87            88            89            90 
      1  -0.601734D+00  0.365696D-01 -0.218915D+00  0.227388D+00  0.797862D-01
      2   0.110650D+02 -0.105915D+01  0.227388D+00 -0.128761D+01  0.308815D+00
      3  -0.105915D+01  0.982208D+00  0.797862D-01  0.308815D+00 -0.153305D+00
                91            92            93            94            95 
      1  -0.231963D+02 -0.182818D+01  0.478875D-01 -0.336254D+00 -0.185283D+00
      2  -0.182818D+01  0.262365D+00 -0.569014D+00 -0.185283D+00  0.502387D+01
      3   0.478875D-01 -0.569014D+00 -0.348392D+01 -0.234443D+01 -0.854552D+00
                96            97            98            99           100 
      1  -0.234443D+01  0.170728D+01 -0.140276D+01 -0.831557D+01 -0.647234D+01
      2  -0.854552D+00 -0.140276D+01 -0.473729D+00 -0.835546D+00  0.271986D+01
      3  -0.766130D+00 -0.831557D+01 -0.835546D+00  0.337008D+00 -0.192769D+01
               101           102           103           104           105 
      1   0.271986D+01 -0.192769D+01  0.856283D+01 -0.170804D+00  0.190366D+01
      2  -0.519183D+00  0.264001D+00 -0.170804D+00 -0.472042D+01 -0.109104D+00
      3   0.264001D+00  0.367597D+01  0.190366D+01 -0.109104D+00  0.267803D+01
               106           107           108           109           110 
      1   0.471315D+01  0.108176D+01  0.573217D+01 -0.857671D+01 -0.179624D+01
      2   0.108176D+01  0.533478D+00  0.192639D+01 -0.179624D+01 -0.542459D+00
      3   0.573217D+01  0.192639D+01 -0.627342D+00  0.902545D+00  0.559724D+00
               111           112           113           114           115 
      1   0.902545D+00 -0.315469D+01 -0.265226D+00  0.161451D+01 -0.113262D+02
      2   0.559724D+00 -0.265226D+00 -0.991014D+00 -0.784950D-01  0.446680D+00
      3   0.104837D+01  0.161451D+01 -0.784950D-01  0.428649D+00  0.527938D+01
               116           117           118           119           120 
      1   0.446680D+00  0.527938D+01 -0.155073D+01 -0.103921D+01  0.117985D+00
      2  -0.789501D+00  0.366157D+00 -0.103921D+01  0.430287D+00 -0.323573D-01
      3   0.366157D+00 -0.670554D+00  0.117985D+00 -0.323573D-01  0.736046D+00
               121           122           123           124           125 
      1  -0.290884D+01  0.180514D+01 -0.936418D-01 -0.443729D+00 -0.102388D+00
      2   0.180514D+01 -0.666986D+01  0.886249D+00 -0.102388D+00  0.694176D+00
      3  -0.936418D-01  0.886249D+00 -0.160019D+01  0.116922D+01 -0.988768D+00
               126           127           128           129           130 
      1   0.116922D+01  0.156809D+02 -0.158795D+01  0.371780D+01 -0.414434D+01
      2  -0.988768D+00 -0.158795D+01  0.124852D+01 -0.254628D+00  0.170075D+01
      3   0.724385D+00  0.371780D+01 -0.254628D+00  0.216790D+01 -0.127964D+01
               131           132           133           134           135 
      1   0.170075D+01 -0.127964D+01  0.127533D+01 -0.346457D+00  0.124192D+01
      2  -0.517488D+00  0.442736D+00 -0.346457D+00 -0.422659D-01 -0.479018D+00
      3   0.442736D+00 -0.115852D+01  0.124192D+01 -0.479018D+00  0.739039D+00
               136           137           138           139           140 
      1  -0.514183D+00 -0.403643D+00  0.963436D+00 -0.124413D+01  0.320693D-01
      2  -0.403643D+00 -0.464944D+00  0.177167D+00  0.320693D-01 -0.162083D+00
      3   0.963436D+00  0.177167D+00 -0.336940D+01 -0.277770D+00  0.114814D+01
               141           142           143           144           145 
      1  -0.277770D+00  0.412837D+00 -0.106922D+00 -0.480375D+00  0.106145D+01
      2   0.114814D+01 -0.106922D+00  0.954172D+00 -0.864290D+00  0.796181D+00
      3  -0.191403D+01 -0.480375D+00 -0.864290D+00  0.755396D+01  0.127556D+00
               146           147           148           149           150 
      1   0.796181D+00  0.127556D+00  0.250985D+01  0.129893D+01  0.946721D+00
      2   0.478086D+00  0.511400D-01  0.129893D+01  0.635131D+01  0.116515D+01
      3   0.511400D-01 -0.396523D+00  0.946721D+00  0.116515D+01  0.175102D+01
               151           152           153           154           155 
      1  -0.418305D+00  0.105021D+00 -0.235789D+00  0.218901D+02  0.235768D+01
      2   0.105021D+00  0.440217D-01  0.654978D+00  0.235768D+01  0.186542D+01
      3  -0.235789D+00  0.654978D+00  0.323271D+00 -0.163436D+01 -0.109918D+00
               156           157           158           159           160 
      1  -0.163436D+01  0.538822D+01  0.427514D+01 -0.837265D+00 -0.227713D+01
      2  -0.109918D+00  0.427514D+01  0.218710D+01 -0.303877D+00 -0.472788D+00
      3   0.317593D+01 -0.837265D+00 -0.303877D+00  0.871586D+00  0.262859D+01
               161           162           163           164           165 
      1  -0.472788D+00  0.262859D+01  0.162388D+02 -0.308006D-02 -0.479160D+01
      2   0.203713D+00  0.639886D+00 -0.308006D-02  0.113992D+00  0.581397D+00
      3   0.639886D+00 -0.124434D+00 -0.479160D+01  0.581397D+00  0.131178D+01
               166           167           168           169           170 
      1   0.342462D+01 -0.784717D-02 -0.604240D+00 -0.104220D+01  0.710948D+00
      2  -0.784717D-02 -0.674507D+00 -0.149302D+01  0.710948D+00 -0.644182D+00
      3  -0.604240D+00 -0.149302D+01 -0.186162D-01  0.693686D+00 -0.981668D+00
               171           172           173           174           175 
      1   0.693686D+00 -0.124013D+02  0.188911D+00  0.262777D+01 -0.145452D+01
      2  -0.981668D+00  0.188911D+00 -0.400057D+00 -0.819782D+00  0.263731D+00
      3  -0.750610D+01  0.262777D+01 -0.819782D+00 -0.324488D+01  0.168976D+00
               176           177           178           179           180 
      1   0.263731D+00  0.168976D+00  0.754739D+01 -0.594750D+00 -0.258129D+01
      2  -0.792869D+00 -0.825827D+00 -0.594750D+00 -0.932274D+00  0.525754D-01
      3  -0.825827D+00 -0.728558D+00 -0.258129D+01  0.525754D-01 -0.259439D+00
               181           182           183           184           185 
      1  -0.570165D+01  0.165779D+00  0.398062D-01 -0.163163D+02 -0.100271D+01
      2   0.165779D+00 -0.105339D+02  0.131992D+01 -0.100271D+01  0.586551D+01
      3   0.398062D-01  0.131992D+01 -0.209438D+01 -0.154033D+01 -0.129299D+01
               186           187           188           189           190 
      1  -0.154033D+01  0.212608D+01 -0.150252D+00 -0.438257D+01 -0.391336D+02
      2  -0.129299D+01 -0.150252D+00 -0.207264D+01 -0.238776D+01 -0.524655D+01
      3  -0.100182D+01 -0.438257D+01 -0.238776D+01 -0.166325D+00 -0.130180D+01
               191           192           193           194           195 
      1  -0.524655D+01 -0.130180D+01  0.716129D+00 -0.435712D+01 -0.321448D-01
      2  -0.101292D+02  0.482345D+00 -0.435712D+01 -0.120472D+02  0.126653D+01
      3   0.482345D+00 -0.267715D+01 -0.321448D-01  0.126653D+01  0.218657D+00
               196           197           198           199           200 
      1  -0.208955D+01 -0.726566D+00 -0.739232D+01  0.432694D+02  0.104005D+02
      2  -0.726566D+00  0.392342D+00 -0.470561D+00  0.104005D+02  0.769178D+01
      3  -0.739232D+01 -0.470561D+00 -0.124300D+01  0.149911D+01 -0.610169D+00
               201           202           203           204           205 
      1   0.149911D+01  0.157229D+02  0.299756D+01  0.605695D+00  0.192982D+01
      2  -0.610169D+00  0.299756D+01  0.526656D+01  0.329127D+00  0.120969D+00
      3   0.648811D+00  0.605695D+00  0.329127D+00  0.186647D+01 -0.200257D-01
               206           207           208           209           210 
      1   0.120969D+00 -0.200257D-01  0.765557D+01  0.365655D+01  0.283215D+00
      2   0.109700D+01  0.459207D+01  0.365655D+01  0.351887D+01 -0.139515D+00
      3   0.459207D+01 -0.113559D+01  0.283215D+00 -0.139515D+00 -0.402313D+00
               211           212           213           214           215 
      1  -0.409118D+01 -0.376327D+01  0.136211D+00  0.110248D+01  0.633737D+00
      2  -0.376327D+01  0.135662D+01 -0.471779D+00  0.633737D+00  0.313449D+00
      3   0.136211D+00 -0.471779D+00 -0.898221D+00 -0.687188D-01  0.792968D+00
               216           217           218           219           220 
      1  -0.687188D-01 -0.254924D+01 -0.447255D+01 -0.470859D-01 -0.165705D+01
      2   0.792968D+00 -0.447255D+01 -0.611799D+00 -0.604558D+00  0.370732D+01
      3  -0.117118D+00 -0.470859D-01 -0.604558D+00  0.925300D+00 -0.747460D+00
               221           222           223           224           225 
      1   0.370732D+01 -0.747460D+00 -0.577827D+00 -0.804466D+00  0.334173D+01
      2   0.137379D+01  0.125350D+01 -0.804466D+00  0.778402D+00  0.437621D+01
      3   0.125350D+01  0.594757D+01  0.334173D+01  0.437621D+01 -0.106395D+01
               226           227           228           229           230 
      1   0.893279D-01 -0.138312D+01  0.158929D+00 -0.305802D+00 -0.146597D-01
      2  -0.138312D+01  0.154256D+01 -0.268002D+00 -0.146597D-01 -0.105031D+02
      3   0.158929D+00 -0.268002D+00  0.128938D+00  0.373543D-01  0.109678D+01
               231           232           233           234           235 
      1   0.373543D-01  0.598392D-02 -0.103360D+00 -0.296927D-01 -0.788504D+01
      2   0.109678D+01 -0.103360D+00  0.121499D+01 -0.288112D+00 -0.349219D+01
      3  -0.956714D+00 -0.296927D-01 -0.288112D+00  0.146372D+00 -0.235532D+00
               236           237           238           239           240 
      1  -0.349219D+01 -0.235532D+00 -0.520057D+01 -0.438930D+01  0.177403D+00
      2  -0.278062D+01  0.224951D-01 -0.438930D+01 -0.428462D+01  0.617905D-01
      3   0.224951D-01 -0.338197D+00  0.177403D+00  0.617905D-01 -0.527386D+00
               241           242           243           244           245 
      1  -0.197485D+00  0.248190D+00  0.404099D+00 -0.721663D+00  0.221436D+01
      2   0.248190D+00  0.200116D+00 -0.150351D+00  0.221436D+01 -0.173271D+01
      3   0.404099D+00 -0.150351D+00  0.143926D+00 -0.250672D+00  0.316764D+00
               246           247           248           249           250 
      1  -0.250672D+00  0.275572D+01 -0.343171D+01  0.458202D+00 -0.298972D+00
      2   0.316764D+00 -0.343171D+01  0.895794D+01 -0.107340D+01  0.516346D+00
      3  -0.269073D+00  0.458202D+00 -0.107340D+01  0.104478D+01 -0.297481D+00
               251           252           253           254           255 
      1   0.516346D+00 -0.297481D+00 -0.650804D+00 -0.290353D+00  0.163688D+01
      2  -0.106849D+01  0.283973D+00 -0.290353D+00  0.273967D-02  0.475027D+00
      3   0.283973D+00 -0.186655D+00  0.163688D+01  0.475027D+00 -0.416438D+00
               256           257           258           259           260 
      1  -0.249095D+01 -0.212869D+01  0.155497D+01  0.620091D+01  0.178396D+01
      2  -0.212869D+01 -0.196040D+01  0.155162D+01  0.178396D+01  0.171226D+01
      3   0.155497D+01  0.155162D+01 -0.248091D+01 -0.373544D+01 -0.240268D+01
               261           262           263           264           265 
      1  -0.373544D+01  0.669011D+00 -0.231649D+00 -0.989619D+00 -0.308027D+01
      2  -0.240268D+01 -0.231649D+00  0.201382D+00 -0.128536D+00 -0.251076D+01
      3   0.524464D+01 -0.989619D+00 -0.128536D+00  0.120265D+00 -0.174999D+01
               266           267           268           269           270 
      1  -0.251076D+01 -0.174999D+01 -0.442117D+01 -0.162364D+01 -0.321500D+01
      2  -0.324990D+01 -0.252162D+01 -0.162364D+01 -0.229344D+01 -0.288951D+01
      3  -0.252162D+01 -0.316127D+01 -0.321500D+01 -0.288951D+01 -0.453660D+01
               271           272           273           274           275 
      1  -0.131345D+02  0.337149D+01 -0.118153D+01  0.714186D+01 -0.270601D+01
      2   0.337149D+01 -0.143347D+01  0.312581D+00 -0.270601D+01  0.212085D+01
      3  -0.118153D+01  0.312581D+00 -0.113145D+01  0.641415D+00 -0.399759D+00
               276           277           278           279 
      1   0.641415D+00 -0.158240D+01  0.392117D+00 -0.181359D+01
      2  -0.399759D+00  0.392117D+00 -0.345129D+00  0.571031D-01
      3   0.464636D+00 -0.181359D+01  0.571031D-01 -0.403419D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.820698D+00 -0.390382D+01 -0.327480D+00 -0.313304D+01 -0.196971D+01
      2  -0.126575D+02  0.394801D+01  0.438894D+00  0.146211D+02  0.286641D+01
      3  -0.712316D+01  0.453811D+02 -0.568085D+01  0.450151D+02  0.221391D+02
                 6             7             8             9            10 
      1  -0.206955D+00  0.404685D+01  0.690615D+01 -0.523039D+00 -0.181756D+01
      2  -0.476636D-01 -0.219752D+02 -0.218835D+01 -0.150909D+01  0.155378D+02
      3   0.227593D-01 -0.120099D+01  0.205611D+01 -0.226971D+01  0.237083D+02
                11            12            13            14            15 
      1  -0.482625D+01 -0.100778D+00 -0.443576D+01  0.478058D+00 -0.685886D-01
      2   0.752465D+01 -0.376458D+01 -0.798678D+01  0.117415D+01 -0.407867D+00
      3   0.523182D+02 -0.389763D+01  0.629450D+02  0.186843D+02  0.277083D+01
                16            17            18            19            20 
      1   0.283641D+01  0.656784D+01 -0.744466D+00 -0.156303D+01  0.865845D+00
      2  -0.213552D+02 -0.103912D+00 -0.149678D+01  0.231172D+02 -0.623020D+00
      3  -0.172788D+01  0.259677D+01  0.130250D+01  0.240887D+02 -0.343091D+02
                21            22            23            24            25 
      1  -0.116759D+01  0.180351D+01 -0.233137D+01 -0.296172D+01  0.461180D+01
      2  -0.107767D+01  0.608912D+01  0.727138D+00 -0.237571D+01 -0.194512D+02
      3   0.567379D+01  0.104082D+02  0.440470D+01  0.593255D+00  0.146515D+01
                26            27            28            29            30 
      1  -0.112489D+01 -0.151410D+01 -0.323140D+01 -0.934673D+00  0.444380D+00
      2  -0.797007D+01  0.328918D+00 -0.224946D+02 -0.381198D+00  0.183049D+01
      3  -0.217819D+01  0.475491D+01  0.496365D+00  0.931058D+01 -0.173139D+01
                31            32            33            34            35 
      1  -0.489468D+01  0.609783D+01  0.184589D+01  0.305371D+01  0.149119D+02
      2   0.294330D+01 -0.135607D+01  0.182090D+01 -0.168573D+02 -0.272703D+01
      3   0.323771D+02  0.493952D+01 -0.119385D+01  0.307871D+00  0.158234D+01
                36            37            38            39            40 
      1  -0.102994D+01 -0.128450D+01  0.190434D+01 -0.410344D+01 -0.811101D+00
      2  -0.167043D+01  0.370923D+01  0.237475D+00  0.223699D+01 -0.834201D+01
      3  -0.243844D+01  0.338525D+02  0.254145D+01  0.669562D+00 -0.122687D+02
                41            42            43            44            45 
      1  -0.226361D+01 -0.226848D+00 -0.167052D+02  0.977413D+01 -0.242342D+01
      2   0.141483D+01  0.774335D+00 -0.775570D+01  0.691317D+01 -0.155072D+01
      3   0.462262D+01  0.915951D+00  0.278153D+01  0.144471D+01  0.698196D+01
                46            47            48            49            50 
      1   0.405230D+01  0.117642D+01  0.389192D+01  0.256615D+01  0.119285D+01
      2  -0.567908D+01 -0.533535D+01  0.700718D+00 -0.454095D+01 -0.338391D+01
      3  -0.636558D+02 -0.361426D+02  0.453353D+00 -0.116855D+02 -0.250813D+02
                51            52            53            54            55 
      1  -0.273262D+01  0.632203D+01 -0.482544D+01  0.364289D+01  0.152126D+01
      2   0.729070D+00 -0.190397D+02  0.239068D+01 -0.208636D+01  0.410692D-01
      3   0.599054D+00 -0.145452D+01 -0.130742D+01 -0.585803D+01 -0.318650D+02
                56            57            58            59            60 
      1   0.523708D+01  0.295666D+01 -0.495689D-01  0.115028D+01 -0.238651D+01
      2  -0.491872D+01 -0.398100D+01 -0.133475D+01 -0.780054D+00  0.317317D+01
      3  -0.384781D+02  0.377889D+01 -0.180459D+01 -0.273365D+02  0.135258D+01
                61            62            63            64            65 
      1   0.327251D+01 -0.453300D+01  0.139427D+01 -0.527352D+00 -0.164815D-01
      2  -0.238183D+02  0.700400D+01 -0.430388D+01  0.291515D+00  0.511211D+00
      3   0.117510D+01 -0.253032D+01 -0.101460D+02  0.857459D+00  0.485434D+00
                66            67            68            69            70 
      1   0.779223D+00  0.587235D+00 -0.191863D+01 -0.364964D+01 -0.123405D+00
      2   0.847245D-01  0.900068D+00  0.166489D+00 -0.118934D+01 -0.162494D+01
      3   0.570818D-01  0.419964D+01  0.558541D+01 -0.671624D+00 -0.214836D+00
                71            72            73            74            75 
      1   0.251102D+01  0.442788D+00 -0.698668D+00  0.269822D+00 -0.280780D+01
      2   0.100972D+01  0.220845D-01 -0.807046D+00 -0.729538D+00  0.229464D+01
      3  -0.759851D+00 -0.524689D+00  0.112135D+02  0.146949D+00  0.711845D+00
                76            77            78            79            80 
      1   0.126872D+01  0.945157D+00 -0.249357D+01  0.208477D+01  0.905060D+00
      2  -0.149759D+01 -0.962928D+00  0.253578D+01 -0.237002D+01  0.257411D+00
      3   0.183700D+01 -0.164438D+01 -0.197407D+00  0.214702D+01 -0.136226D+00
                81            82            83            84            85 
      1   0.345134D+00  0.710583D+00 -0.654980D+00  0.101863D+01 -0.276587D+00
      2  -0.400828D+00 -0.481064D+00  0.431394D-01  0.457102D+00  0.373403D+00
      3  -0.932750D+00 -0.457022D+01  0.229411D+01 -0.586338D+00  0.476940D+01
                86            87            88            89            90 
      1   0.267080D+01 -0.510833D+01 -0.117361D+01  0.171829D+01  0.303221D+00
      2  -0.388928D+00 -0.663342D+00 -0.369940D+00 -0.963464D+00  0.351479D+00
      3  -0.369957D+01  0.587654D+00 -0.103698D+01  0.109900D+01  0.107512D+01
                91            92            93            94            95 
      1  -0.131508D+01 -0.257805D+00 -0.111797D+01 -0.246103D+01  0.255862D+01
      2   0.160051D+02 -0.127099D+01 -0.791966D+01 -0.608385D+01 -0.276404D+01
      3   0.634393D+01 -0.784064D+01  0.205577D+01  0.931135D+01 -0.231709D+02
                96            97            98            99           100 
      1  -0.317483D+01 -0.511254D+01  0.309259D+01 -0.640562D+00  0.547190D+01
      2  -0.103495D+01 -0.396070D+02 -0.204251D+01  0.533270D+01  0.101369D+02
      3   0.473854D+01  0.472628D+01  0.360089D+01  0.595498D+01 -0.177894D+02
               101           102           103           104           105 
      1   0.688230D+00 -0.102813D+00 -0.202767D+01 -0.117348D+02 -0.387805D+01
      2  -0.291656D+01  0.226692D+02 -0.172446D+01  0.800868D+00  0.906716D+01
      3  -0.188474D+01 -0.294261D+01  0.441316D+01  0.252165D+02  0.823144D+00
               106           107           108           109           110 
      1   0.210264D+01  0.188892D+01  0.676244D+01  0.802430D+01  0.325196D+01
      2   0.170355D+02  0.705664D+01 -0.122090D+02 -0.161941D+02  0.933816D+00
      3  -0.493095D+01 -0.391818D+00 -0.919463D+01  0.341558D+01  0.156774D+02
               111           112           113           114           115 
      1   0.631998D+01  0.138669D+02 -0.822074D+00 -0.157013D+02  0.668205D+01
      2   0.120923D+01  0.583491D+01 -0.886641D+00 -0.675893D+01  0.153445D+02
      3  -0.418400D+00  0.200804D+02  0.125401D+02 -0.292652D+01  0.741373D+00
               116           117           118           119           120 
      1  -0.494397D+01 -0.536555D+00 -0.456417D+00  0.447418D+00  0.180916D+00
      2  -0.176360D+01 -0.203573D+00  0.138988D+01  0.438039D+00  0.302778D+01
      3  -0.311561D+01 -0.393839D+01  0.705130D+01 -0.142509D+01 -0.119544D+00
               121           122           123           124           125 
      1   0.747083D+00 -0.404656D+01 -0.208159D+01  0.232291D+00  0.752279D+00
      2   0.115248D+01  0.190993D+01 -0.500154D+01  0.224218D+01 -0.278568D+01
      3  -0.140243D+01  0.242652D+02 -0.327629D+01  0.663378D+00 -0.244036D+01
               126           127           128           129           130 
      1   0.435985D+00 -0.315039D+01  0.358032D+01 -0.151688D+00  0.345936D+01
      2   0.161178D+01 -0.113255D+02  0.196748D+01  0.623818D+01  0.175995D+01
      3   0.254439D+01  0.856774D+01 -0.848006D+01  0.150879D+01 -0.699604D+01
               131           132           133           134           135 
      1  -0.643787D+00 -0.304627D+00 -0.102510D+01  0.749512D+00 -0.107968D+01
      2  -0.115804D+01 -0.347039D+01  0.236200D+01 -0.116330D+01  0.515906D+00
      3   0.139090D+01 -0.171133D+01  0.100846D+01 -0.159564D+01  0.228694D+01
               136           137           138           139           140 
      1  -0.166719D+01 -0.240235D+01  0.690010D+00 -0.804829D+00 -0.636117D+00
      2   0.759616D+01  0.183250D+01 -0.146191D+02  0.154223D+01  0.443897D+01
      3   0.217501D+01  0.175003D+01 -0.797847D+00  0.140555D+01  0.342655D+00
               141           142           143           144           145 
      1   0.135592D+01  0.143803D-01  0.399484D+01 -0.276614D+01  0.267627D+01
      2  -0.722599D+01 -0.644074D+01 -0.378574D+01  0.308908D+02 -0.812624D+00
      3  -0.423326D+01  0.553611D+00 -0.310026D+01  0.372710D+01 -0.462870D+01
               146           147           148           149           150 
      1   0.773782D+00  0.363770D+00  0.116430D+01  0.142692D+02 -0.999387D+00
      2  -0.116159D+01 -0.129900D+01 -0.552129D+00  0.221264D+01  0.560726D+01
      3  -0.155143D+01 -0.739648D+00 -0.632069D+00 -0.280614D+02 -0.358354D+01
               151           152           153           154           155 
      1   0.522950D+00  0.686604D+00  0.127834D+01 -0.616948D+01 -0.333346D+01
      2  -0.112323D+01  0.209480D+01  0.149781D+01  0.698585D+01  0.994597D+00
      3  -0.188575D+01  0.497701D+00 -0.288392D+01 -0.140005D+02 -0.238645D+02
               156           157           158           159           160 
      1  -0.212855D+01 -0.941358D+01 -0.250191D+01  0.537436D+00 -0.446601D+00
      2   0.237304D+02 -0.512822D+01  0.155875D+01  0.792516D+01  0.724845D+01
      3   0.178217D+00 -0.181581D+02 -0.146690D+02  0.208968D+01  0.121253D+01
               161           162           163           164           165 
      1   0.336703D+01 -0.840602D+00 -0.812771D+01 -0.182442D+01  0.163626D+00
      2   0.278470D+01  0.329866D+00  0.122776D+02  0.318885D+01  0.191691D+01
      3   0.233363D+01 -0.322972D+01 -0.104787D+02 -0.385745D+01  0.700364D+00
               166           167           168           169           170 
      1  -0.546915D+01  0.196482D+01  0.438517D+01  0.228126D+01  0.828095D+01
      2   0.377034D+01 -0.598092D+01  0.114243D+01 -0.822431D+01 -0.306761D+01
      3  -0.251001D+01  0.232780D+01  0.739515D+01 -0.842007D+00  0.338974D+01
               171           172           173           174           175 
      1  -0.359802D+01  0.706498D+01  0.139593D+01 -0.265855D+01  0.571071D+01
      2  -0.258320D+02 -0.231495D+02 -0.306582D+01 -0.663585D+01 -0.401321D+01
      3   0.418293D+01  0.104509D+02  0.220607D+01  0.178462D+00  0.606541D+01
               176           177           178           179           180 
      1  -0.744430D+00 -0.247082D+01 -0.315681D+01 -0.561451D+00  0.110067D+01
      2  -0.298209D+01 -0.186853D+01 -0.970229D+00 -0.316645D+00 -0.309982D+01
      3   0.103907D+01  0.143530D+01 -0.357758D+01 -0.365179D+00  0.166222D+01
               181           182           183           184           185 
      1   0.215855D+00 -0.397847D+01 -0.385390D+01 -0.660287D-01  0.125419D+01
      2   0.249251D+01  0.149146D+01  0.726098D+01  0.128828D+01  0.204363D+01
      3   0.160265D+02  0.100344D+02 -0.110979D+01 -0.164383D+02  0.727291D+01
               186           187           188           189           190 
      1  -0.137231D+01 -0.133259D+02  0.758748D+01 -0.260250D+01 -0.226442D+01
      2   0.216787D+01 -0.202428D+01  0.120006D+02  0.119689D+00  0.123117D+02
      3  -0.198547D+01  0.202673D+01 -0.489847D+00  0.128889D+01  0.258085D+02
               191           192           193           194           195 
      1  -0.520182D+01  0.101779D+01 -0.506118D+01 -0.121529D+01  0.241146D+01
      2   0.443811D+01 -0.172450D+01  0.680526D+01  0.246303D+01  0.328471D+00
      3   0.252205D+02 -0.405522D+00  0.525603D+02  0.107119D+02  0.277915D+01
               196           197           198           199           200 
      1   0.145851D+00  0.142499D+02 -0.171653D+01  0.560396D+00  0.491082D+01
      2   0.187429D+01 -0.490224D+01  0.212197D+01 -0.110967D+02 -0.624277D+01
      3  -0.377592D+01  0.280574D+01 -0.105148D+01 -0.540089D+01 -0.462394D+02
               201           202           203           204           205 
      1  -0.489490D+00  0.172889D+01  0.189602D+01 -0.235519D+01  0.575943D+01
      2   0.297016D+01 -0.653112D+01 -0.444855D+01 -0.320357D+01 -0.206351D+02
      3   0.343011D+01 -0.788363D+01 -0.128305D+02  0.174100D+01  0.219044D+01
               206           207           208           209           210 
      1   0.120670D+01  0.939232D+00  0.188819D+01  0.438383D+01 -0.115529D+01
      2  -0.171231D+02  0.186844D+01 -0.360580D+01 -0.392379D+01  0.151597D+02
      3   0.366141D+00  0.860999D+01 -0.127053D+02 -0.437611D+02  0.163823D+01
               211           212           213           214           215 
      1  -0.587712D+00 -0.155446D+01 -0.434883D+01 -0.295052D+01 -0.158297D+01
      2  -0.260707D+00  0.274382D+01  0.424285D+01 -0.616039D+01 -0.194083D+01
      3  -0.151478D+01  0.145704D+02 -0.197893D+01 -0.785886D+00 -0.487902D+01
               216           217           218           219           220 
      1   0.218834D+00  0.422063D+00 -0.178283D+01  0.127577D+01 -0.109539D+01
      2   0.872327D+00  0.693843D-01  0.459729D+01 -0.651060D+01  0.460094D+01
      3   0.383718D+01 -0.284725D+02  0.162558D+02 -0.580821D+01  0.357916D+02
               221           222           223           224           225 
      1  -0.744767D+00  0.253710D+01  0.123802D+02  0.490626D+01 -0.138712D+01
      2  -0.581485D+01 -0.378720D+02 -0.258364D+02 -0.289087D+02  0.739982D+01
      3   0.224719D+02  0.800374D+01 -0.507876D+01  0.584521D+01  0.290954D+02
               226           227           228           229           230 
      1   0.135644D+00 -0.166596D+00  0.923128D+00  0.233888D-01 -0.646576D+00
      2  -0.713398D+00  0.839158D+00  0.956909D-01  0.383066D+00 -0.215935D+01
      3  -0.619258D+01  0.453027D+01 -0.989963D+00  0.364280D+01 -0.211168D+02
               231           232           233           234           235 
      1  -0.451802D+01 -0.932457D-01  0.270535D+01  0.187065D+00 -0.115736D+01
      2   0.108122D+01  0.189704D+00 -0.247881D+00  0.107939D-01  0.239266D+01
      3   0.229381D+01 -0.965911D+00  0.303361D+01  0.966671D-01  0.521002D+01
               236           237           238           239           240 
      1  -0.353645D+00 -0.184626D+01  0.659127D-01 -0.162824D+00 -0.226190D+01
      2   0.371995D+00  0.220209D+01 -0.606981D-01  0.151514D+00  0.304836D+01
      3  -0.554685D+01  0.767969D+00 -0.594694D+01 -0.106419D+02  0.512353D-01
               241           242           243           244           245 
      1   0.233193D+01  0.724290D+00  0.296008D+00  0.117797D+00 -0.242850D+00
      2  -0.282736D+01  0.169015D+00 -0.678011D+00  0.592732D+00 -0.679596D+00
      3   0.173553D+01  0.560699D+00 -0.134818D+01  0.386039D+01 -0.248479D+01
               246           247           248           249           250 
      1   0.963999D+00 -0.332092D+00  0.649758D-01 -0.396804D+01 -0.283359D+00
      2   0.105552D+01 -0.806916D+00  0.275716D+01 -0.333377D+01 -0.152084D+01
      3   0.498766D+00 -0.222875D+01  0.213368D+02 -0.233279D+01  0.752390D+00
               251           252           253           254           255 
      1   0.162787D+01  0.333070D+00 -0.354577D+00  0.218884D+00 -0.123317D+00
      2  -0.127061D+00  0.346538D+00 -0.105873D+02 -0.282613D+01  0.334843D+01
      3  -0.238230D+01  0.333279D+00 -0.384859D+01 -0.266407D+01  0.271039D+01
               256           257           258           259           260 
      1   0.145473D+01  0.980646D+00 -0.257012D+01 -0.356580D+01  0.884739D+00
      2  -0.802139D+01 -0.959740D+01  0.156409D+02  0.190169D+02  0.156732D+02
      3  -0.125761D+02 -0.166625D+02  0.993115D+01  0.969669D+01  0.137984D+02
               261           262           263           264           265 
      1   0.422262D+01  0.121114D+01 -0.420154D-01  0.722007D+00 -0.359515D+00
      2  -0.322323D+02  0.669275D+01  0.634277D-01 -0.201923D+00  0.708761D+01
      3  -0.158850D+02 -0.375658D+01 -0.803037D+00 -0.294356D+00 -0.142171D+02
               266           267           268           269           270 
      1   0.113950D+01 -0.218392D+01 -0.179894D+01  0.183786D+01 -0.252665D+01
      2   0.134671D+02  0.185437D+02  0.143286D+02  0.171145D+02  0.254961D+02
      3  -0.250832D+02 -0.153344D+02 -0.854192D+01 -0.167180D+02 -0.182960D+02
               271           272           273           274           275 
      1  -0.110824D+01  0.817777D+00  0.423137D+00  0.768849D+00 -0.763640D+00
      2   0.402731D+01 -0.130849D+01  0.874833D+01 -0.226727D+01  0.176730D+01
      3   0.235350D+02 -0.135289D+02  0.247358D+01 -0.172106D+02  0.139625D+02
               276           277           278           279 
      1  -0.991531D+00 -0.109373D+01  0.443607D+00  0.636601D-01
      2  -0.337506D+01  0.899703D+01 -0.166891D+00  0.209151D+01
      3  -0.263414D+01  0.283578D+01 -0.262068D+01  0.262536D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.898459D+02 -0.384917D+02 -0.166808D+01  0.935432D+02 -0.816563D+01
      2   0.413957D+02  0.204238D+02  0.108388D+01 -0.432060D+02  0.107190D+02
      3   0.484503D+02  0.180679D+02  0.584201D+00 -0.503372D+02 -0.255335D+01
      4  -0.318442D+02  0.236492D+01 -0.200148D+01 -0.354967D+01  0.781080D+01
      5   0.143747D+01 -0.165594D+01  0.101623D+01 -0.316571D+01 -0.292916D+01
      6   0.150501D+01  0.184756D+01  0.690205D+00 -0.347744D+01 -0.321486D+01
                 6             7             8             9            10 
      1   0.665122D+01 -0.192951D+02 -0.307027D+01 -0.113906D+02  0.758602D+02
      2  -0.474818D+01  0.840044D+01  0.106813D+01 -0.108391D+01 -0.255411D+02
      3  -0.190304D+01  0.108946D+02  0.200214D+01  0.124745D+02 -0.503191D+02
      4  -0.124600D+01 -0.216995D+01 -0.616653D+00  0.296233D+00  0.915283D+01
      5  -0.657669D+00  0.146800D+01  0.173840D+01 -0.150418D+01  0.187778D+01
      6  -0.241999D-01 -0.255152D+01  0.308516D+01  0.562251D+00 -0.521173D+01
                11            12            13            14            15 
      1  -0.301022D+01  0.720416D+01 -0.109770D+03 -0.202812D+02 -0.664154D+01
      2   0.364210D+01 -0.231205D+01  0.479856D+02  0.182965D+02  0.113378D+01
      3  -0.631874D+00 -0.489211D+01  0.617846D+02  0.198475D+01  0.550776D+01
      4  -0.380556D+01  0.418499D+00 -0.172074D+02 -0.143780D+02  0.357966D+00
      5  -0.188307D+01 -0.695818D+01  0.506773D+01  0.230087D+01  0.218653D+00
      6  -0.943187D+00 -0.487747D+00  0.236744D+01  0.394430D+00 -0.408513D+00
                16            17            18            19            20 
      1   0.192349D+02  0.102232D+01 -0.773790D+01  0.674713D+02  0.422061D+02
      2  -0.712063D+01 -0.156213D+01 -0.205035D+01 -0.249393D+02 -0.255222D+02
      3  -0.121143D+02  0.539804D+00  0.978826D+01 -0.425320D+02 -0.166839D+02
      4   0.294331D+01  0.648533D+00 -0.181249D+01  0.357928D+02 -0.753852D+01
      5  -0.648789D+00 -0.194790D+01 -0.193117D+01 -0.430600D+01  0.113735D+01
      6  -0.204314D+01  0.291225D+01  0.152285D+01 -0.443423D+01 -0.508414D+01
                21            22            23            24            25 
      1   0.456516D+01 -0.974908D+01  0.230265D+02 -0.139361D+01  0.857789D+01
      2  -0.150994D+01  0.202356D+02 -0.279490D+02  0.448246D+01 -0.484021D+01
      3  -0.305522D+01 -0.104865D+02  0.492253D+01 -0.308885D+01 -0.373769D+01
      4   0.204607D+01  0.167465D+02  0.240625D+01 -0.166327D+01  0.383563D+01
      5  -0.716137D+01 -0.107514D+01 -0.288807D+01 -0.836688D+01  0.106141D+02
      6   0.103211D+01 -0.504787D+01  0.454979D+01  0.505145D+01 -0.215131D+01
                26            27            28            29            30 
      1   0.444080D+01 -0.131493D+02  0.237380D+01 -0.241403D+01 -0.538135D+01
      2   0.334094D+01 -0.864089D+00 -0.268707D+02  0.134632D+01  0.106955D+01
      3  -0.778174D+01  0.140134D+02  0.244969D+02  0.106771D+01  0.431180D+01
      4  -0.296424D+01 -0.500989D+01 -0.234530D+02  0.100179D+02 -0.129678D+00
      5  -0.910162D+01 -0.381993D+00  0.880335D+01  0.225587D+01  0.115751D+02
      6   0.124503D+02 -0.290789D+01  0.733786D+01  0.293645D+01 -0.252098D+01
                31            32            33            34            35 
      1  -0.500239D+02 -0.588136D+02  0.577078D+01 -0.902739D+00  0.402137D+01
      2   0.395143D+02  0.503432D+02 -0.630725D+01 -0.504764D+01 -0.509439D+01
      3   0.105097D+02  0.847039D+01  0.536478D+00  0.595038D+01  0.107302D+01
      4  -0.318173D+02 -0.746710D+00 -0.115558D+01  0.518249D+01 -0.419132D+00
      5   0.567923D+01 -0.764320D+00  0.370010D+01  0.347468D+02  0.374680D+01
      6  -0.402182D+01  0.116123D+01 -0.346315D+01 -0.451352D+01  0.287070D+01
                36            37            38            39            40 
      1  -0.133838D+01 -0.163751D+02 -0.571010D+02  0.306988D+01  0.363350D+02
      2  -0.105097D+02  0.933369D+01  0.435765D+02 -0.202357D+01 -0.404441D+02
      3   0.118481D+02  0.704139D+01  0.135245D+02 -0.104632D+01  0.410911D+01
      4  -0.261572D+01 -0.955151D+01 -0.776387D+01 -0.393052D+00  0.800566D+01
      5   0.112247D+01  0.149254D+01 -0.322366D+01  0.617755D+01  0.315341D+01
      6   0.212443D+01 -0.336120D+01  0.256455D+01  0.721761D+01  0.843707D+01
                41            42            43            44            45 
      1   0.347458D+02 -0.469739D+01 -0.779722D+01 -0.122797D+02 -0.932444D+01
      2  -0.315137D+02  0.178862D+01  0.716781D+01  0.844573D+01 -0.650074D+00
      3  -0.323212D+01  0.290877D+01  0.629407D+00  0.383401D+01  0.997452D+01
      4  -0.137133D+02  0.350454D+01 -0.216174D+01  0.215694D+01  0.915842D+01
      5   0.499074D+01  0.614912D+01  0.166813D+02  0.583201D+01  0.270278D+00
      6  -0.830972D+00  0.197769D+01  0.192930D+02  0.761010D+01  0.538683D+01
                46            47            48            49            50 
      1   0.220047D+02  0.383675D+02  0.593057D+00 -0.180162D+02 -0.671775D+00
      2  -0.191848D+02 -0.299421D+02 -0.134076D+00  0.127097D+02 -0.118382D+02
      3  -0.281988D+01 -0.842541D+01 -0.458981D+00  0.530646D+01  0.125099D+02
      4  -0.418021D-01 -0.367746D+01  0.709901D+00  0.583888D+01  0.106241D+02
      5  -0.467968D+01  0.301987D+01 -0.123423D+01 -0.265928D+00 -0.701685D+00
      6   0.361366D+01 -0.518824D+01 -0.491716D+01 -0.488787D-02  0.740055D+01
                51            52            53            54            55 
      1  -0.437276D+01  0.633278D+01 -0.745851D+00 -0.227276D+02  0.273805D+02
      2   0.461650D+01 -0.519869D+01  0.405967D+01  0.116745D+02 -0.193470D+02
      3  -0.243742D+00 -0.113409D+01 -0.331382D+01  0.110531D+02 -0.803344D+01
      4  -0.129962D+01 -0.176143D+00 -0.413283D+01 -0.251910D+01  0.222240D+02
      5  -0.295447D+00  0.315956D+01  0.891147D+00 -0.234854D+01  0.286876D+01
      6   0.647271D+01 -0.266795D+01  0.228281D+02 -0.256934D+01  0.215894D+01
                56            57            58            59            60 
      1   0.484282D+02 -0.728833D+00  0.626074D+01  0.228123D+02 -0.459505D+01
      2  -0.314209D+02 -0.230450D+00  0.141285D+01 -0.229860D+02  0.550962D+01
      3  -0.170074D+02  0.959283D+00 -0.767359D+01  0.173719D+00 -0.914577D+00
      4  -0.387943D+02  0.412706D+01  0.288920D+02  0.162218D+02  0.156461D+01
      5   0.521677D+01 -0.954249D+01 -0.297355D+01  0.897558D+00  0.433484D+01
      6  -0.163685D+01 -0.530795D+01 -0.667589D+00  0.614636D+01  0.555225D+01
                61            62            63            64            65 
      1   0.283711D+01 -0.200654D+01 -0.207138D+02 -0.114084D+01  0.290091D+01
      2  -0.203608D+01  0.731400D+01  0.883733D+01  0.406499D+01 -0.415739D+01
      3  -0.801033D+00 -0.530746D+01  0.118765D+02 -0.292415D+01  0.125647D+01
      4  -0.271190D+01 -0.377390D+01  0.138456D+02 -0.534551D+01  0.986955D+01
      5   0.176792D+01  0.167819D+02 -0.715702D+01  0.130235D+01 -0.175251D+01
      6   0.220596D+01  0.221102D+02 -0.447296D+01 -0.196854D+01  0.175880D+01
                66            67            68            69            70 
      1  -0.350139D+00  0.791204D+01 -0.330609D+02  0.496865D+01  0.785321D-01
      2   0.279425D+00 -0.107963D+02  0.397951D+02 -0.394801D+01  0.241767D+00
      3   0.707145D-01  0.288431D+01 -0.673421D+01 -0.102064D+01 -0.320299D+00
      4  -0.141031D+01  0.104711D+02 -0.186552D+02  0.248199D+01 -0.157811D+01
      5   0.138113D+01 -0.196029D+01  0.165486D+01 -0.205426D+01  0.668232D-01
      6  -0.997744D+00  0.316837D+01 -0.987684D+01  0.673763D+01 -0.181859D+01
                71            72            73            74            75 
      1   0.350143D+01 -0.383933D+01  0.105444D+02 -0.599503D+00  0.233137D+00
      2  -0.367124D+01  0.397044D+01  0.682973D+00  0.788352D+01 -0.572875D+00
      3   0.169814D+00 -0.131111D+00 -0.112274D+02 -0.728402D+01  0.339738D+00
      4   0.274384D+01 -0.986878D+00  0.266922D+02  0.196096D+02  0.475242D-01
      5   0.219483D-01  0.670974D+00  0.258670D+01  0.319489D+00  0.452650D+01
      6   0.371026D+01 -0.204432D+01  0.191509D+01  0.925945D+00  0.255194D+01
                76            77            78            79            80 
      1  -0.351225D+01 -0.916215D+01 -0.686920D-01  0.202931D+01  0.838193D+00
      2   0.134235D+02  0.189590D+02 -0.132467D+00 -0.215697D+01 -0.121265D+01
      3  -0.991124D+01 -0.979687D+01  0.201159D+00  0.127664D+00  0.374458D+00
      4   0.260781D+02  0.261391D+02 -0.289506D+00 -0.141823D+01 -0.162342D+01
      5  -0.115062D+00 -0.184912D-01  0.332147D+01 -0.600705D-01  0.185838D+01
      6   0.844804D+00  0.147090D+01  0.412011D+01 -0.968273D+00  0.220356D+01
                81            82            83            84            85 
      1   0.445349D+00 -0.489460D+01  0.680392D+01 -0.123380D+01  0.269088D+01
      2   0.619489D+00  0.693778D+01 -0.924004D+01  0.114430D+01 -0.317119D+01
      3  -0.106484D+01 -0.204318D+01  0.243612D+01  0.895050D-01  0.480312D+00
      4   0.221732D+01 -0.272213D+01  0.115214D+02 -0.979492D+00  0.607943D+01
      5  -0.594130D+00 -0.396034D+00 -0.118157D+00  0.166833D+01 -0.179874D+00
      6  -0.719880D+00 -0.483078D+00  0.116050D+01 -0.133030D+01  0.447694D-01
                86            87            88            89            90 
      1  -0.549456D+02  0.532851D+01 -0.131567D+01  0.661283D+01 -0.310397D+01
      2   0.724841D+02 -0.591724D+01  0.122600D+01 -0.783604D+01  0.350599D+01
      3  -0.175385D+02  0.588732D+00  0.896724D-01  0.122320D+01 -0.402023D+00
      4  -0.905024D+01  0.545685D+00 -0.664019D+00  0.152373D+01 -0.150335D+01
      5  -0.183814D+01 -0.454120D+00  0.842349D+00 -0.109454D+01  0.433104D+00
      6  -0.454182D+01  0.782186D+01  0.456904D+00  0.424175D+01 -0.169242D+01
                91            92            93            94            95 
      1  -0.171105D+02 -0.539763D+01  0.108416D+02 -0.647112D+01  0.155568D+02
      2   0.257609D+02  0.585529D+01  0.861518D+00  0.106220D+02 -0.207149D+02
      3  -0.865043D+01 -0.457666D+00 -0.117031D+02 -0.415088D+01  0.515810D+01
      4   0.125918D+00  0.183140D+01 -0.454552D+01 -0.261731D+01  0.392292D+02
      5  -0.639439D+00 -0.591802D+01 -0.240907D+02 -0.229710D+02 -0.499978D+01
      6  -0.620402D+01 -0.213016D+01 -0.930106D+00  0.322764D-01  0.984009D+01
                96            97            98            99           100 
      1  -0.131758D+02  0.881977D+01 -0.535627D+01 -0.251891D+02 -0.654720D+02
      2   0.148359D+02  0.185568D+01  0.516820D+01  0.183724D+02  0.367746D+02
      3  -0.166012D+01 -0.106754D+02  0.188067D+00  0.681674D+01  0.286975D+02
      4  -0.465231D+01 -0.111827D+02 -0.416700D+01 -0.329669D+01  0.274910D+02
      5  -0.475698D+01 -0.650222D+02 -0.626553D+01 -0.373489D+01 -0.380679D+02
      6  -0.144449D+01 -0.578931D+00 -0.964795D+00 -0.467423D+01  0.131917D+02
               101           102           103           104           105 
      1   0.191558D+02 -0.345843D+02  0.372973D+02  0.592281D+00 -0.137269D+00
      2  -0.101041D+02  0.288855D+01 -0.286041D+02 -0.703128D+01 -0.113537D+02
      3  -0.905173D+01  0.316957D+02 -0.869317D+01  0.643900D+01  0.114910D+02
      4  -0.132213D+01  0.398515D+01 -0.565780D+01 -0.408789D+02 -0.226526D+01
      5   0.861444D+01  0.181695D+02  0.260266D+02 -0.919473D+00  0.190286D+02
      6  -0.267502D-01  0.556138D+00 -0.900614D-01 -0.176794D+02 -0.147159D+00
               106           107           108           109           110 
      1  -0.652617D+01 -0.296398D+01  0.384178D+02 -0.110498D+03 -0.148059D+02
      2  -0.141058D+02 -0.496929D+01 -0.115514D+02  0.498933D+02  0.296169D+01
      3   0.206320D+02  0.793327D+01 -0.268664D+02  0.606047D+02  0.118443D+02
      4   0.618556D+01  0.209087D+01  0.145876D+02 -0.222558D+02 -0.187802D+02
      5   0.439258D+02  0.142578D+02  0.125743D+02  0.232858D+02  0.826223D+01
      6   0.434492D+01  0.185491D+01  0.117520D+02  0.657160D+01  0.137430D+01
               111           112           113           114           115 
      1   0.118898D+02 -0.291363D+02 -0.114925D+02  0.828646D+01 -0.326051D+02
      2  -0.588086D+01  0.875610D+01  0.113815D+02 -0.432820D+01  0.251012D+02
      3  -0.600890D+01  0.203802D+02  0.110999D+00 -0.395825D+01  0.750392D+01
      4   0.544603D+01  0.210193D+01 -0.178538D+02  0.445104D+00  0.706277D+01
      5  -0.725940D+01  0.172516D+02  0.238897D+01 -0.397833D+01  0.329717D+02
      6  -0.316438D+01  0.245624D+01  0.985137D+00  0.806936D+00  0.454801D+00
               116           117           118           119           120 
      1   0.572908D+01  0.300614D+02 -0.710823D+01 -0.634983D+01 -0.409911D+00
      2  -0.255424D+01 -0.871261D+01  0.872388D+01  0.236829D+01  0.206044D+00
      3  -0.317484D+01 -0.213488D+02 -0.161565D+01  0.398154D+01  0.203867D+00
      4  -0.364736D+00  0.262446D+01 -0.918178D+01  0.749990D+01 -0.714687D+00
      5   0.359361D+01 -0.809084D+01  0.545931D+00 -0.117314D+01  0.701830D+01
      6  -0.489626D+01 -0.387222D+01 -0.250861D+01  0.812571D+00 -0.192146D+00
               121           122           123           124           125 
      1  -0.858514D+01 -0.181914D+02  0.592926D+01 -0.224980D+01  0.217232D+01
      2  -0.212652D+00  0.303467D+02 -0.478560D+01  0.161737D+01 -0.654956D+00
      3   0.879779D+01 -0.121553D+02 -0.114366D+01  0.632436D+00 -0.151736D+01
      4   0.166268D+02 -0.470019D+02  0.607249D+01 -0.516207D+00  0.447649D+01
      5  -0.124360D+01  0.574344D+01 -0.115448D+02  0.932746D+01 -0.601623D+01
      6   0.232875D+01 -0.111058D+02  0.621223D+01 -0.205533D+01  0.660463D+01
               126           127           128           129           130 
      1  -0.740326D+00  0.109342D+03 -0.136009D+02  0.213338D+02 -0.259872D+02
      2   0.549139D+00 -0.663161D+02  0.694925D+01 -0.179012D+02  0.153446D+02
      3   0.191187D+00 -0.430255D+02  0.665170D+01 -0.343256D+01  0.106426D+02
      4  -0.638407D+01 -0.210070D+02  0.151690D+02 -0.411112D+01  0.213080D+02
      5   0.485692D+01  0.633449D+02 -0.663445D+01  0.286335D+02 -0.185749D+02
      6  -0.242566D+01 -0.801765D+01  0.598519D+01 -0.195661D+01  0.784314D+01
               131           132           133           134           135 
      1   0.115959D+02 -0.388030D+01  0.937910D+01 -0.511819D+00  0.671690D+01
      2  -0.453115D+01  0.554269D+01 -0.900948D+01  0.175537D+01 -0.772790D+01
      3  -0.706476D+01 -0.166239D+01 -0.369620D+00 -0.124355D+01  0.101100D+01
      4  -0.538457D+01  0.517440D+01 -0.258533D+01  0.160989D+01 -0.473607D+01
      5   0.730927D+01 -0.110735D+02  0.178254D+02 -0.476694D+01  0.956062D+01
      6  -0.184697D+01  0.326206D+01 -0.248901D+01  0.134871D+01 -0.216427D+01
               136           137           138           139           140 
      1  -0.593329D+01 -0.471251D+01  0.240391D+02 -0.675726D+01 -0.730305D+01
      2  -0.114486D+01  0.133991D+01  0.210810D+01  0.465101D+01  0.126736D+01
      3   0.707815D+01  0.337259D+01 -0.261472D+02  0.210625D+01  0.603569D+01
      4  -0.358006D+01 -0.296978D+01  0.128503D+01  0.169935D+01 -0.506833D+00
      5   0.165304D+01 -0.899314D+00 -0.123023D+02 -0.515411D+01  0.559434D+01
      6  -0.243954D+01 -0.358894D+01  0.245411D+01  0.397001D-01 -0.276638D+01
               141           142           143           144           145 
      1   0.775420D+01  0.977680D+01  0.419220D+01 -0.414101D+02  0.960399D+01
      2   0.299410D+01 -0.295385D+01  0.168492D+01 -0.143134D+02 -0.298460D+01
      3  -0.107483D+02 -0.682295D+01 -0.587711D+01  0.557235D+02 -0.661939D+01
      4   0.760986D+01 -0.349453D+00  0.630753D+01 -0.740833D+01  0.657421D+01
      5  -0.114945D+02  0.502672D+01 -0.504145D+01  0.402713D+02  0.505425D+01
      6   0.929673D+01 -0.342220D+00  0.707358D+01 -0.742962D+01  0.211726D+01
               146           147           148           149           150 
      1   0.573230D+01  0.481067D+01  0.119046D+02 -0.461939D+01 -0.146280D+01
      2  -0.205992D+01 -0.641759D+00 -0.589358D+01  0.141869D+02 -0.288214D+01
      3  -0.367239D+01 -0.416891D+01 -0.601101D+01 -0.956754D+01  0.434494D+01
      4   0.729641D+01  0.744109D+00  0.156922D+02  0.515553D+02  0.941529D+01
      5   0.241968D+01 -0.415110D+00  0.117622D+02  0.963416D+01  0.138149D+02
      6   0.183773D+01  0.725787D-01  0.603599D+01  0.245892D+02  0.825187D+01
               151           152           153           154           155 
      1  -0.965548D+00 -0.165752D+01 -0.561885D+01  0.208972D+03  0.226007D+02
      2   0.142791D+01 -0.984971D+00  0.165779D+01 -0.100768D+03 -0.871095D+01
      3  -0.462358D+00  0.264249D+01  0.396106D+01 -0.108204D+03 -0.138898D+02
      4   0.412781D+00  0.710516D+00  0.476715D+01  0.230071D+02  0.364293D+02
      5  -0.656587D+00  0.477766D+01  0.700276D+00 -0.413028D+02 -0.506844D+01
      6   0.107415D+01  0.471793D+01  0.207440D+01 -0.495239D+01 -0.505440D+01
               156           157           158           159           160 
      1  -0.117147D+02  0.341804D+02  0.344155D+02 -0.308563D+01 -0.116715D+02
      2   0.108491D+02 -0.149688D+02 -0.130302D+02  0.285984D+01  0.103944D+02
      3   0.865552D+00 -0.192116D+02 -0.213852D+02  0.225792D+00  0.127713D+01
      4  -0.195904D+01  0.489517D+02  0.258127D+02 -0.403553D+01 -0.340283D+01
      5   0.404035D+02 -0.108281D+02 -0.872666D+01  0.104950D+02  0.372490D+02
      6  -0.249697D+00 -0.966732D+01 -0.494556D+01  0.519959D+01  0.232581D+01
               161           162           163           164           165 
      1  -0.183329D+01  0.199950D+02  0.616222D+02  0.504154D+01 -0.167485D+02
      2   0.147766D+01 -0.145359D+02 -0.437624D+02 -0.155198D+01  0.111716D+02
      3   0.355623D+00 -0.545906D+01 -0.178598D+02 -0.348957D+01  0.557698D+01
      4  -0.260951D+01  0.478347D+01 -0.221125D+01  0.769339D+01  0.440593D+01
      5   0.665483D+01 -0.796290D+01 -0.409371D+02  0.205982D+01  0.205123D+02
      6   0.469994D+01 -0.160270D+01  0.157172D+01 -0.163200D+01 -0.185686D+01
               166           167           168           169           170 
      1   0.157732D+02 -0.822088D+01 -0.378839D+01  0.806321D+01 -0.295355D+01
      2  -0.881544D+01  0.288346D+01  0.288346D+01 -0.194479D+01  0.379922D+00
      3  -0.695776D+01  0.533742D+01  0.904930D+00 -0.611842D+01  0.257363D+01
      4   0.428459D+01 -0.446483D+01 -0.117198D+02  0.570727D+01 -0.645691D+01
      5  -0.606545D+01 -0.112841D+02  0.198544D+00  0.144132D+02 -0.725514D+01
      6  -0.136357D+01  0.443518D+01  0.122637D+02 -0.380941D+01  0.120796D+02
               171           172           173           174           175 
      1  -0.365202D+02 -0.540607D+02 -0.624004D+01 -0.663911D+01 -0.100488D+02
      2  -0.103584D+02  0.352209D+02  0.269081D+01 -0.566737D+01  0.632532D+01
      3   0.468786D+02  0.188398D+02  0.354923D+01  0.123065D+02  0.372346D+01
      4  -0.899626D+01  0.274122D+01 -0.487067D+01 -0.376192D+01  0.932622D+00
      5  -0.442751D+02  0.307313D+02 -0.220942D+01 -0.176993D+02  0.349242D+01
      6   0.103026D+02 -0.726459D+00  0.443988D+01  0.486980D+01  0.250621D+00
               176           177           178           179           180 
      1  -0.653686D+01 -0.259305D+01  0.117984D+02 -0.784725D+00 -0.105738D+02
      2   0.416522D+01  0.692641D+00 -0.139854D+02  0.286187D+00  0.575019D+01
      3   0.237164D+01  0.190041D+01  0.218702D+01  0.498539D+00  0.482359D+01
      4  -0.264268D+01 -0.363066D+01 -0.254191D+01  0.718144D+00  0.924689D+00
      5  -0.267270D+01 -0.280206D+01 -0.148576D+02  0.465909D+00  0.385941D+01
      6   0.283573D+01  0.410274D+01  0.363176D+01  0.944578D+00  0.148856D+00
               181           182           183           184           185 
      1  -0.617798D+01 -0.487316D+02  0.294129D+01  0.101016D+03  0.199773D+02
      2   0.493458D+01  0.350940D+02 -0.680060D+00 -0.680744D+02 -0.188021D+02
      3   0.124340D+01  0.136376D+02 -0.226123D+01 -0.329414D+02 -0.117516D+01
      4  -0.130435D+02  0.436009D+02 -0.653762D+01  0.110511D+02 -0.355769D+02
      5  -0.562631D+01 -0.859774D+01  0.160739D+02  0.640600D+01  0.667382D+01
      6  -0.374196D+01 -0.321306D+01  0.805536D+01  0.610905D+01  0.268924D+01
               186           187           188           189           190 
      1   0.451107D+01 -0.154016D+02 -0.783370D+01  0.488831D+01  0.122291D+03
      2  -0.272105D+01  0.134537D+02  0.648822D+01 -0.893178D+01 -0.608862D+02
      3  -0.179002D+01  0.194798D+01  0.134547D+01  0.404346D+01 -0.614049D+02
      4   0.762061D+01 -0.178798D+01  0.109236D+02  0.183112D+02  0.493797D+01
      5   0.660410D+01  0.323932D+02  0.169909D+02 -0.263388D+01 -0.338832D+01
      6   0.310455D+01  0.170673D+02  0.803981D+01  0.271546D+01 -0.177696D+01
               191           192           193           194           195 
      1   0.227088D+02  0.444444D+01 -0.469436D+02 -0.162845D+02  0.119449D+01
      2  -0.116941D+02 -0.815463D+00  0.404908D+02  0.229242D+02 -0.297872D+01
      3  -0.110147D+02 -0.362898D+01  0.645278D+01 -0.663970D+01  0.178423D+01
      4   0.316750D+02 -0.281592D+01 -0.107945D+02  0.569122D+02 -0.755393D+01
      5  -0.256365D+01 -0.153307D+01  0.473718D+01 -0.635059D+01  0.682430D+00
      6  -0.215268D+01 -0.209234D+01 -0.675722D+01 -0.379422D+01 -0.245319D+01
               196           197           198           199           200 
      1   0.615425D+01  0.613406D+01  0.268583D+02 -0.118933D+03 -0.111970D+02
      2  -0.578469D+01 -0.537082D+01 -0.235525D+02  0.474325D+02  0.239868D+01
      3  -0.369561D+00 -0.763242D+00 -0.330581D+01  0.715006D+02  0.879831D+01
      4   0.781774D+01 -0.373049D+01 -0.167035D+01 -0.140912D+02 -0.300866D+02
      5   0.536502D+02  0.311724D+01  0.370769D+01 -0.203502D+01  0.671874D+01
      6  -0.218748D+01  0.281614D+01  0.163140D+01  0.655292D+01 -0.153413D-02
               201           202           203           204           205 
      1  -0.570697D+01 -0.753552D+02 -0.267544D+01 -0.647728D+01 -0.303701D+00
      2   0.261262D+01  0.457719D+02 -0.126083D+02  0.570360D+01 -0.229369D+01
      3   0.309435D+01  0.295832D+02  0.152837D+02  0.773685D+00  0.259739D+01
      4   0.492607D+01  0.249981D+00 -0.178995D+02 -0.173745D+01  0.147917D+01
      5   0.340497D+01 -0.215265D+01 -0.247270D+01 -0.768114D+01  0.205830D+01
      6   0.360087D+00 -0.107309D+01  0.629684D+01  0.396545D+01 -0.313882D+01
               206           207           208           209           210 
      1  -0.914611D-01 -0.201103D+02  0.577695D+01 -0.277922D+02 -0.236341D+00
      2   0.451974D+01  0.452300D+01 -0.605929D+01  0.143276D+02 -0.162228D+01
      3  -0.442828D+01  0.155873D+02  0.282339D+00  0.134646D+02  0.185862D+01
      4  -0.737980D+01 -0.231722D+02 -0.252768D+02  0.937520D+01  0.471705D+00
      5  -0.253553D+02  0.369557D+01  0.398718D+01  0.106170D+01  0.300260D+02
      6   0.167406D+02 -0.131718D+01  0.502661D+00  0.206258D+01  0.269615D+01
               211           212           213           214           215 
      1   0.125130D+02  0.146910D+02 -0.208645D+01 -0.214485D+01 -0.314531D+01
      2  -0.124284D+02 -0.458706D+01  0.168592D+01 -0.666489D-01  0.253665D+01
      3  -0.846420D-01 -0.101039D+02  0.400531D+00  0.221150D+01  0.608654D+00
      4   0.422375D+02 -0.199872D+02  0.468937D+01 -0.477726D+01  0.103186D+01
      5  -0.502703D+01  0.275170D+01  0.722135D+01  0.898637D+01 -0.660124D+01
      6   0.211369D+01 -0.343129D+00  0.764657D+01 -0.402547D+01  0.473459D+01
               216           217           218           219           220 
      1  -0.118614D+01 -0.344394D+02  0.537872D+02 -0.544595D+01  0.397407D+02
      2   0.444778D+00  0.204469D+02 -0.274998D+02  0.313913D+01 -0.161974D+02
      3   0.741357D+00  0.139925D+02 -0.262873D+02  0.230681D+01 -0.235433D+02
      4  -0.756138D+01  0.529557D+02 -0.722628D+01  0.793071D+01 -0.470000D+02
      5   0.364569D+01 -0.628656D+01  0.823266D+01 -0.185790D+02  0.114991D+02
      6  -0.167975D+01  0.313055D+01 -0.234105D+00 -0.278828D+01 -0.349461D+01
               221           222           223           224           225 
      1  -0.199669D+02  0.149244D+02 -0.725033D+00  0.130274D+02 -0.143819D+02
      2   0.115287D+02 -0.654744D+01 -0.985099D+00 -0.634628D+01  0.855012D+01
      3   0.843815D+01 -0.837692D+01  0.171013D+01 -0.668115D+01  0.583182D+01
      4  -0.211970D+02 -0.139798D+02  0.108315D+02 -0.892996D+01 -0.504562D+02
      5  -0.129439D+02 -0.743480D+02 -0.408781D+02 -0.519210D+02  0.149414D+02
      6  -0.401453D+01 -0.141731D+02 -0.126285D+02 -0.106815D+02 -0.132505D+01
               226           227           228           229           230 
      1  -0.407948D+01  0.128718D+02 -0.188133D+01  0.154107D+01 -0.524698D+02
      2   0.559452D+01 -0.115716D+02  0.131338D+01 -0.373289D-01  0.665210D+02
      3  -0.151505D+01 -0.130020D+01  0.567948D+00 -0.150375D+01 -0.140512D+02
      4   0.306022D+01  0.541059D+01 -0.872763D-01  0.456624D+01  0.276491D+02
      5  -0.638404D+00  0.929409D-01  0.105527D+01 -0.409013D+00 -0.539881D+01
      6  -0.104318D+01  0.190603D+01 -0.129738D+01 -0.368422D+00 -0.101017D+02
               231           232           233           234           235 
      1   0.577911D+01 -0.626352D+00  0.663488D+01 -0.295972D+01  0.495704D+02
      2  -0.555830D+01  0.334626D+00 -0.713172D+01  0.315976D+01 -0.185365D+02
      3  -0.220815D+00  0.291726D+00  0.496849D+00 -0.200034D+00 -0.310340D+02
      4  -0.319232D+01  0.329371D-01 -0.297315D+01 -0.718015D+00  0.378708D+02
      5   0.305700D+01  0.152117D+01 -0.708285D-02 -0.116540D+00 -0.668330D+00
      6   0.794633D+01 -0.473920D-01  0.424422D+01 -0.179287D+01  0.153773D+00
               236           237           238           239           240 
      1   0.160158D+02  0.171977D+01  0.215210D+02  0.111648D+02 -0.344453D+00
      2  -0.138795D+01 -0.876106D+00  0.735717D+00  0.774949D+01  0.284043D+00
      3  -0.146279D+02 -0.843668D+00 -0.222567D+02 -0.189143D+02  0.604102D-01
      4   0.277704D+02 -0.530914D-01  0.410951D+02  0.393815D+02 -0.737827D+00
      5  -0.149667D+01  0.392258D+01 -0.336889D+01 -0.273610D+01  0.504516D+01
      6  -0.272899D+00  0.200247D+01 -0.141737D+01 -0.939261D+00  0.369668D+01
               241           242           243           244           245 
      1   0.212077D+01 -0.185997D+00 -0.113276D+01 -0.212730D+01 -0.538652D+01
      2  -0.203752D+01 -0.458605D+00  0.100975D+01  0.567904D+01 -0.179543D+01
      3  -0.832452D-01  0.644602D+00  0.123005D+00 -0.355174D+01  0.718195D+01
      4  -0.156052D+01 -0.168484D+01  0.206871D+01 -0.160708D+02  0.181596D+02
      5  -0.158098D+01  0.156193D+01 -0.738827D+00  0.120986D+01 -0.187104D+01
      6  -0.647446D+00  0.158113D+01 -0.511276D+00 -0.104378D+01  0.133924D+01
               246           247           248           249           250 
      1   0.227726D+00 -0.118150D+01 -0.214392D+02  0.251895D+01 -0.295360D+00
      2   0.213429D+00 -0.929321D+01  0.380896D+02 -0.322463D+01  0.848974D+00
      3  -0.441155D+00  0.104747D+02 -0.166504D+02  0.705684D+00 -0.553614D+00
      4  -0.264007D+01  0.254758D+02 -0.537607D+02  0.622811D+01 -0.350742D+01
      5   0.244509D+01 -0.213216D+01  0.367158D+01 -0.593583D+01  0.245000D+01
      6  -0.141003D+01  0.195117D+01 -0.536774D+01  0.684818D+01 -0.253274D+01
               251           252           253           254           255 
      1   0.171560D+01 -0.176986D+01  0.195434D+02  0.489014D+01 -0.170527D+02
      2  -0.327030D+01  0.301063D+01 -0.105272D+02 -0.218673D+01  0.846215D+01
      3   0.155470D+01 -0.124078D+01 -0.901620D+01 -0.270340D+01  0.859050D+01
      4   0.678272D+01 -0.242542D+01  0.630571D+01  0.471060D+01 -0.739220D+01
      5  -0.111753D+01  0.115292D+01 -0.206717D+02 -0.713000D+01  0.873567D+01
      6   0.366749D+01 -0.180786D+01 -0.292204D+01 -0.955580D+00  0.360598D+00
               256           257           258           259           260 
      1   0.235358D+02  0.127970D+02 -0.109447D+02 -0.572472D+02 -0.118818D+02
      2  -0.117434D+02 -0.447816D+01  0.465905D+01  0.330838D+02  0.612535D+01
      3  -0.117924D+02 -0.831884D+01  0.628560D+01  0.241634D+02  0.575647D+01
      4   0.288596D+02  0.252072D+02 -0.183850D+02 -0.230590D+02 -0.212210D+02
      5  -0.205331D+02 -0.191825D+02  0.311428D+02  0.490409D+02  0.290873D+02
      6  -0.420981D+01 -0.461585D+01  0.784381D+01  0.826325D+01  0.732335D+01
               261           262           263           264           265 
      1   0.197400D+02  0.414606D+01  0.520186D+01  0.137228D+02  0.263356D+02
      2  -0.169941D+02 -0.269830D+01 -0.248393D+01 -0.634842D+01 -0.135610D+02
      3  -0.274589D+01 -0.144777D+01 -0.271793D+01 -0.737440D+01 -0.127746D+02
      4   0.275986D+02  0.496012D+01  0.292087D+01  0.352954D+01  0.331707D+02
      5  -0.633618D+02  0.137704D+02  0.318028D+01  0.239149D+01  0.217063D+02
      6  -0.842616D+01  0.242302D+01  0.151635D+00 -0.482744D+00  0.783032D+01
               266           267           268           269           270 
      1   0.976847D+01  0.578855D+01  0.386506D+02  0.453493D+01  0.101924D+02
      2  -0.210656D+01 -0.346751D+01 -0.229064D+02 -0.362537D+01 -0.133538D+02
      3  -0.766190D+01 -0.232104D+01 -0.157441D+02 -0.909559D+00  0.316142D+01
      4   0.391601D+02  0.286026D+02  0.202604D+02  0.267892D+02  0.321087D+02
      5   0.280683D+02  0.373304D+02  0.400891D+02  0.325445D+02  0.499322D+02
      6   0.105567D+02  0.113860D+02  0.959799D+01  0.105681D+02  0.118969D+02
               271           272           273           274           275 
      1   0.171964D+03 -0.400086D+02  0.143123D+02 -0.809993D+02  0.302110D+02
      2  -0.884451D+02  0.200346D+02 -0.826960D+01  0.403415D+02 -0.135721D+02
      3  -0.835186D+02  0.199739D+02 -0.604273D+01  0.406578D+02 -0.166389D+02
      4  -0.485605D+02  0.233289D+02 -0.446337D+01  0.409314D+02 -0.287561D+02
      5   0.178169D+02 -0.431912D+01  0.175221D+02 -0.858635D+01  0.514768D+01
      6  -0.191042D+01  0.101155D+01 -0.936723D+00  0.193267D+01 -0.128888D+01
               276           277           278           279 
      1  -0.704548D+01  0.181362D+02 -0.466058D+01  0.176805D+02
      2   0.399823D+01 -0.107633D+02  0.270731D+01 -0.103678D+02
      3   0.304725D+01 -0.737294D+01  0.195326D+01 -0.731270D+01
      4   0.535626D+01 -0.560078D+01  0.453381D+01 -0.201974D+01
      5  -0.690110D+01  0.261315D+02 -0.177575D+01  0.556174D+01
      6   0.243053D+01 -0.186375D+01  0.290025D+01 -0.604904D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204002D+03      0.302300D+02      0.336354D+02
   aniso      0.186453D+03      0.276295D+02      0.307420D+02
   xx         0.322702D+03      0.478196D+02      0.532064D+02
   yx         0.156550D+02      0.231983D+01      0.258116D+01
   yy         0.169419D+03      0.251054D+02      0.279335D+02
   zx         0.121250D+02      0.179674D+01      0.199915D+01
   zy        -0.392251D+01     -0.581256D+00     -0.646734D+00
   zz         0.119884D+03      0.177649D+02      0.197662D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204002D+03      0.302300D+02      0.336354D+02
   aniso      0.186453D+03      0.276295D+02      0.307420D+02
   xx         0.153695D+03      0.227752D+02      0.253409D+02
   yx        -0.237911D+02     -0.352547D+01     -0.392261D+01
   yy         0.161940D+03      0.239971D+02      0.267004D+02
   zx        -0.672169D+02     -0.996051D+01     -0.110826D+02
   zy         0.939265D+01      0.139185D+01      0.154864D+01
   zz         0.296370D+03      0.439176D+02      0.488649D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-25\Freq\RB3LYP\Gen\C14H14O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
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 WE LEARN WISDOM FROM FAILURE MUCH MORE THAN FROM SUCCESS.
 WE DISCOVER WHAT WILL DO BY FINDING OUT WHAT WILL NOT DO...
 AND HE WHO NEVER MADE A MISTAKE NEVER MADE A DISCOVERY
 Job cpu time:       0 days  7 hours 48 minutes 37.3 seconds.
 Elapsed time:       0 days  0 hours 58 minutes 44.0 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:41:37 2021.
